Geometry & MOs

Info

ID:	317674
PubChem CID:	126644900
Reduced:	NOC14H21 (1)
Stoich.:	ABC14D21 (1)
Weight, g/mol:	473.267842
ΔH_f, kcal/mol:	-48.6
Dipole, Da:	1.73
IP(EA), eV:	-8.95(0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C(=CC=C1)CO[C@H]2CCC[C@@H]2N)C

DOS

IR

Vibrations