Geometry & MOs

Info

ID:

317595

PubChem CID:

126644279

Reduced:

O2N5C24H29 (1)

Stoich.:

A2B5C24D29 (1)

Weight, g/mol:

610.363139

ΔHf, kcal/mol:

-15.62

Dipole, Da:

2.83

IP(EA), eV:

 -8.68(-0.5)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-amino-5-[3-amino-4-(4-pyrrolidin-1-ylpiperidine-1-carbonyl)phenyl]-N-[(1S,2S)-2-[(3,4-dimethylphenyl)methoxy]cyclopentyl]pyridine-3-carboxamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations