Geometry & MOs

Info

ID:	273349
PubChem CID:	103770950
Reduced:	NO2C7H10 (2)
Stoich.:	AB2C7D10 (2)
Weight, g/mol:	303.144613
ΔH_f, kcal/mol:	-105.14
Dipole, Da:	6.75
IP(EA), eV:	-10.16(-1.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-hydroxy-4-methylpentyl)-2-[3-(trifluoromethyl)phenyl]acetamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations