Geometry & MOs

Info

ID:	79256
PubChem CID:	49747702
Reduced:	NOC11H14 (2)
Stoich.:	ABC11D14 (2)
Weight, g/mol:	271.168462
ΔH_f, kcal/mol:	-29.78
Dipole, Da:	4.29
IP(EA), eV:	-8.67(0.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-cyano-N-[2-(dimethylamino)-2-(4-methylphenyl)ethyl]cyclopropane-1-carboxamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C(CNC(=O)C2(CC2)C3=CC=CC=C3OC)N(C)C

DOS

IR

Vibrations