Geometry & MOs

Info

ID:	203725
PubChem CID:	79862077
Reduced:	NOC18H27 (1)
Stoich.:	ABC18D27 (1)
Weight, g/mol:	272.188863
ΔH_f, kcal/mol:	-29.43
Dipole, Da:	0.64
IP(EA), eV:	-8.58(0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[[(2,2-dimethylcyclohexyl)amino]methyl]-2-methoxybenzonitrile

Drug info:

PubChemData

Smile

CC1(CCCCC1NCC2=CC=CC=C2OCC=C)C

DOS

IR

Vibrations