Geometry & MOs

Info

ID:

311574

PubChem CID:

126593986

Reduced:

O5N9H41C61 (1)

Stoich.:

A5B9C41D61 (1)

Weight, g/mol:

511.25834

ΔHf, kcal/mol:

184.69

Dipole, Da:

3.47

IP(EA), eV:

 -8.68(-1.15)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[4-(morpholin-4-ylmethyl)phenyl]-3-[4-[3-(oxetan-3-ylmethyl)benzimidazol-5-yl]pyridin-3-yl]propanamide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)C#N)C2=NC3=C(N2C4=CC=C(C=C4)CC(=O)C=C)C5=C(C6=C3N(C(=N6)C7=C(C=C(C=C7)C#N)C)C8=CC=C(C=C8)OC(=O)C=C)N(C(=N5)C9=C(C=C(C=C9)C#N)C)C1=CC=C(C=C1)OC(=O)C=C

DOS

IR

Vibrations