Geometry & MOs

Info

ID:	276344
PubChem CID:	103822319
Reduced:	ClO2N3C14H14 (1)
Stoich.:	AB2C3D14E14 (1)
Weight, g/mol:	233.152812
ΔH_f, kcal/mol:	-32.98
Dipole, Da:	4.24
IP(EA), eV:	-9.35(-1.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(aminomethyl)-N-(5-methylpyridin-3-yl)cyclopentane-1-carboxamide

Drug info:

PubChemData

Smile

C1CCOC(C1)C(=O)NC2=NC3=CC=CC=C3N=C2Cl

DOS

IR

Vibrations