Geometry & MOs

Info

ID:	272019
PubChem CID:	103717445
Reduced:	ClO2N3H10C12 (1)
Stoich.:	AB2C3D10E12 (1)
Weight, g/mol:	250.087291
ΔH_f, kcal/mol:	-39.87
Dipole, Da:	10.77
IP(EA), eV:	-8.81(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-chloropyridin-3-yl)bicyclo[4.1.0]heptane-7-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=O)C(=CN1)C(=O)NC2=C(N=CC=C2)Cl

DOS

IR

Vibrations