Geometry & MOs

Info

ID:	201357
PubChem CID:	79527395
Reduced:	SN2O3C13H24 (1)
Stoich.:	AB2C3D13E24 (1)
Weight, g/mol:	338.09938
ΔH_f, kcal/mol:	-151.98
Dipole, Da:	4.52
IP(EA), eV:	-9.44(0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(aminomethyl)-N-[1-(2-bromophenyl)ethyl]cyclohexane-1-carboxamide

Drug info:

PubChemData

Smile

CN(C1CCS(=O)(=O)C1)C(=O)C2CCC(CC2)CN

DOS

IR

Vibrations