Geometry & MOs

Info

ID:	214144
PubChem CID:	81087026
Reduced:	NOC6H9 (2)
Stoich.:	ABC6D9 (2)
Weight, g/mol:	269.246713
ΔH_f, kcal/mol:	-86.86
Dipole, Da:	3.19
IP(EA), eV:	-8.93(-0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-amino-N-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]-3-methylbutanamide

Drug info:

PubChemData

Smile

CCC(CC(=O)NC1=CC(=CC=C1)O)CN

DOS

IR

Vibrations