Geometry & MOs

Info

ID:	61089
PubChem CID:	26705493
Reduced:	N4O4C23H24 (1)
Stoich.:	A4B4C23D24 (1)
Weight, g/mol:	447.02931
ΔH_f, kcal/mol:	-40.65
Dipole, Da:	10.44
IP(EA), eV:	-8.88(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-bromo-3-(trifluoromethyl)phenyl]-2-(2,3,4-trimethoxyphenyl)acetamide

Drug info:

PubChemData

Smile

CC(=O)N1C=CC2=CC=CC=C2[C@@H]1CC(=O)N3CCN(CC3)C4=CC=C(C=C4)[N+](=O)[O-]

DOS

IR

Vibrations