Geometry & MOs

Info

ID:	317625
PubChem CID:	126644432
Reduced:	ClN3O4H18C19 (1)
Stoich.:	AB3C4D18E19 (1)
Weight, g/mol:	475.247107
ΔH_f, kcal/mol:	-51.24
Dipole, Da:	1.89
IP(EA), eV:	-9.31(-1.36)
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-[4-(hydroxymethyl)-3-methoxyphenyl]pyridine-3-carboxamide

Drug info:

PubChemData

Smile

CC(C)ONC(=O)COC1=CC=C(C=C1)OC2=CN=C3C=C(C=CC3=N2)Cl

DOS

IR

Vibrations