Geometry & MOs

Info

ID:	205497
PubChem CID:	80112133
Reduced:	NOC8H13 (2)
Stoich.:	ABC8D13 (2)
Weight, g/mol:	216.183778
ΔH_f, kcal/mol:	-96.75
Dipole, Da:	1.51
IP(EA), eV:	-8.15(0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(aminomethyl)-N-(2-hydroxypropyl)-N,4-dimethylpentanamide

Drug info:

PubChemData

Smile

CCCOC1=CC=C(C=C1)NC(=O)C(CC(C)C)CN

DOS

IR

Vibrations