Geometry & MOs

Info

ID:	273561
PubChem CID:	103771381
Reduced:	NO2C7H10 (2)
Stoich.:	AB2C7D10 (2)
Weight, g/mol:	291.219829
ΔH_f, kcal/mol:	-105.51
Dipole, Da:	6.92
IP(EA), eV:	-10.12(-1.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-hydroxy-4-methylpentyl)-3-methyl-2-phenylpentanamide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)[N+](=O)[O-])C(=O)NCC(CC(C)C)O

DOS

IR

Vibrations