Geometry & MOs

Info

ID:	320807
PubChem CID:	126663610
Reduced:	N3H13C16 (1)
Stoich.:	A3B13C16 (1)
Weight, g/mol:	248.152478
ΔH_f, kcal/mol:	131.04
Dipole, Da:	5.24
IP(EA), eV:	-8.78(-0.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

propan-2-yl N-[5-(1-cyanopropan-2-yl)cyclohexa-2,4-dien-1-yl]carbamate

Drug info:

PubChemData

Smile

CC1=NC(=CC=C1)C#CC2=CC(=CC(=C2)NC)C#N

DOS

IR

Vibrations