Geometry & MOs

Info

ID:	281009
PubChem CID:	103852384
Reduced:	N2O3C12H18 (1)
Stoich.:	A2B3C12D18 (1)
Weight, g/mol:	312.12407
ΔH_f, kcal/mol:	-128.08
Dipole, Da:	2.58
IP(EA), eV:	-9.5(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-chloro-N-[2-[(1-hydroxy-4-methylpentan-3-yl)amino]-2-oxoethyl]benzamide

Drug info:

PubChemData

Smile

CC(C)C(CCO)NC(=O)C1=C(C=CC=N1)O

DOS

IR

Vibrations