Geometry & MOs

Info

ID:	274592
PubChem CID:	103810428
Reduced:	N2O2C17H24 (1)
Stoich.:	A2B2C17D24 (1)
Weight, g/mol:	276.183778
ΔH_f, kcal/mol:	2.45
Dipole, Da:	1.93
IP(EA), eV:	-9.13(0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(aminomethyl)-N-[[3-(hydroxymethyl)phenyl]methyl]cyclohexane-1-carboxamide

Drug info:

PubChemData

Smile

C1CC2CC(CC1N2)CC(=O)NCC3=CC(=CC=C3)CO

DOS

IR

Vibrations