Geometry & MOs

Info

ID:

442765

PubChem CID:

135256112

Reduced:

O2N9H23C25 (1)

Stoich.:

A2B9C23D25 (1)

Weight, g/mol:

572.228437

ΔHf, kcal/mol:

96.27

Dipole, Da:

11.13

IP(EA), eV:

 -9.19(-0.89)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[4-(3-cyanophenyl)-6-[1-[[6-[cyclopropyl(methoxy)methyl]pyridin-2-yl]methyl]triazol-4-yl]pyrimidin-2-yl]-2-phenoxyacetamide

Drug info:

PubChemData

Smile

C1CCN(C(C1)C(=O)O)C2=CC=CC(=N2)CN3C=C(N=N3)C4=NC(=NC(=C4)C5=CC=CC(=C5)C#N)N

DOS

IR

Vibrations