Geometry & MOs

Info

ID:	65780
PubChem CID:	46386863
Reduced:	F2N3O3H19C21 (1)
Stoich.:	A2B3C3D19E21 (1)
Weight, g/mol:	391.189592
ΔH_f, kcal/mol:	-166.92
Dipole, Da:	4.22
IP(EA), eV:	-9.23(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2,5-dimethylphenyl)-2-(6,12-dioxo-7,8,9,10-tetrahydro-6aH-pyrido[2,1-c][1,4]benzodiazepin-5-yl)acetamide

Drug info:

PubChemData

Smile

C1CCN2C(C1)C(=O)N(C3=CC=CC=C3C2=O)CC(=O)NC4=C(C=C(C=C4)F)F

DOS

IR

Vibrations