Geometry & MOs

Info

ID:	273298
PubChem CID:	103770849
Reduced:	NO3C17H25 (1)
Stoich.:	AB3C17D25 (1)
Weight, g/mol:	246.136828
ΔH_f, kcal/mol:	-140.82
Dipole, Da:	4.0
IP(EA), eV:	-8.89(0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-cyano-N-(2-hydroxy-4-methylpentyl)benzamide

Drug info:

PubChemData

Smile

CC(C)CC(CNC(=O)COC1=CC2=C(CCC2)C=C1)O

DOS

IR

Vibrations