Geometry & MOs

Info

ID:	248619
PubChem CID:	103083093
Reduced:	BrNO2C14H18 (1)
Stoich.:	ABC2D14E18 (1)
Weight, g/mol:	250.168128
ΔH_f, kcal/mol:	-85.61
Dipole, Da:	5.6
IP(EA), eV:	-9.52(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-cyano-N-(3-methoxycyclopentyl)cyclohexane-1-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)C(=O)NC2CCC(C2)OC)Br

DOS

IR

Vibrations