Geometry & MOs

Info

ID:	300111
PubChem CID:	119526859
Reduced:	N2O3C21H26 (1)
Stoich.:	A2B3C21D26 (1)
Weight, g/mol:	431.122354
ΔH_f, kcal/mol:	-91.52
Dipole, Da:	3.32
IP(EA), eV:	-9.32(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-2-nitro-4-(trifluoromethyl)benzamide;hydrochloride

Drug info:

PubChemData

Smile

CC(C)C1=CC=C(C=C1)C(CNC(=O)COC2=CC=CC(=C2)C(=O)C)N

DOS

IR

Vibrations