Geometry & MOs

Info

ID:	175894
PubChem CID:	75966233
Reduced:	N3O3F6H21C23 (1)
Stoich.:	A3B3C6D21E23 (1)
Weight, g/mol:	515.164361
ΔH_f, kcal/mol:	-413.2
Dipole, Da:	7.74
IP(EA), eV:	-9.97(-1.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-acetamido-3-oxo-4,5-dihydro-1H-2-benzazepin-2-yl)-N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-N-methylacetamide

Drug info:

PubChemData

Smile

CC(=O)NC1CC2=CC=CC=C2CN(C1=O)CC(=O)NCC3=CC(=CC(=C3)C(F)(F)F)C(F)(F)F

DOS

IR

Vibrations