Geometry & MOs

Info

ID:

317636

PubChem CID:

126644657

Reduced:

O3N5C37H47 (1)

Stoich.:

A3B5C37D47 (1)

Weight, g/mol:

509.279075

ΔHf, kcal/mol:

-99.19

Dipole, Da:

3.36

IP(EA), eV:

 -8.67(-0.7)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[(3,4-dimethylphenyl)methylamino]-5-(1-methylpyrazol-4-yl)-N-[(1S,2S)-2-phenylmethoxycyclopentyl]pyridine-3-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)CO[C@H]2CCC[C@@H]2NC(=O)C3=C(N=CC(=C3)C4=C(C=CC(=C4)C(=O)N5CCC(CC5)N6CCCC6)C)N)C

DOS

IR

Vibrations