Geometry & MOs

Info

ID:	201348
PubChem CID:	79527386
Reduced:	ON4C12H18 (1)
Stoich.:	AB4C12D18 (1)
Weight, g/mol:	196.157563
ΔH_f, kcal/mol:	-13.87
Dipole, Da:	2.08
IP(EA), eV:	-9.45(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(aminomethyl)-N-prop-2-enylcyclohexane-1-carboxamide

Drug info:

PubChemData

Smile

C1CC(CCC1CN)C(=O)NC2=NC=CC=N2

DOS

IR

Vibrations