Geometry & MOs

Info

ID:	209636
PubChem CID:	80697772
Reduced:	N2O3C16H20 (1)
Stoich.:	A2B3C16D20 (1)
Weight, g/mol:	268.134241
ΔH_f, kcal/mol:	-104.62
Dipole, Da:	4.34
IP(EA), eV:	-9.4(-1.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1-aminohexan-2-yl)-3-chloro-4-methylbenzamide

Drug info:

PubChemData

Smile

CCCCC(CN)NC(=O)C1=CC2=CC=CC=C2OC1=O

DOS

IR

Vibrations