Geometry & MOs

Info

ID:	131692
PubChem CID:	51245952
Reduced:	ClN2O2C19H23 (1)
Stoich.:	AB2C2D19E23 (1)
Weight, g/mol:	282.032668
ΔH_f, kcal/mol:	-52.69
Dipole, Da:	2.37
IP(EA), eV:	-8.54(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-cyano-N-(3,4-dichlorophenyl)cyclopentane-1-carboxamide

Drug info:

PubChemData

Smile

CC(C(=O)NCC1=CC=CC=C1Cl)N(C)CC2=CC=C(C=C2)OC

DOS

IR

Vibrations