Geometry & MOs

Info

ID:	65794
PubChem CID:	46386878
Reduced:	FN3O4C22H22 (1)
Stoich.:	AB3C4D22E22 (1)
Weight, g/mol:	391.189592
ΔH_f, kcal/mol:	-161.8
Dipole, Da:	3.52
IP(EA), eV:	-8.57(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)NC(=O)CN2C3=CC=CC=C3C(=O)N4CCCCC4C2=O)F

DOS

IR

Vibrations