Geometry & MOs

Info

ID:	6082
PubChem CID:	14430
Reduced:	OF3N3C18H18 (1)
Stoich.:	AB3C3D18E18 (1)
Weight, g/mol:	349.140197
ΔH_f, kcal/mol:	-141.43
Dipole, Da:	3.57
IP(EA), eV:	-8.91(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[2-(dimethylamino)ethyl]-3-(trifluoromethyl)-11H-benzo[b][1,4]benzodiazepin-6-one

Drug info:

PubChemData

Smile

CN(C)CCN1C2=C(C=CC(=C2)C(F)(F)F)NC3=CC=CC=C3C1=O

DOS

IR

Vibrations