Geometry & MOs

Info

ID:	201346
PubChem CID:	79527384
Reduced:	ClON2C14H19 (1)
Stoich.:	ABC2D14E19 (1)
Weight, g/mol:	260.188863
ΔH_f, kcal/mol:	-49.96
Dipole, Da:	2.41
IP(EA), eV:	-8.92(-0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(aminomethyl)-N-(2,6-dimethylphenyl)cyclohexane-1-carboxamide

Drug info:

PubChemData

Smile

C1CC(CCC1CN)C(=O)NC2=CC=CC=C2Cl

DOS

IR

Vibrations