Geometry & MOs

Info

ID:	65775
PubChem CID:	46386858
Reduced:	BrN3O3C22H22 (1)
Stoich.:	AB3C3D22E22 (1)
Weight, g/mol:	448.211055
ΔH_f, kcal/mol:	-84.33
Dipole, Da:	4.16
IP(EA), eV:	-8.95(-0.9)
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-(4-morpholin-4-ylphenyl)acetamide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)NC(=O)CN2C3=CC=CC=C3C(=O)N4CCCCC4C2=O)Br

DOS

IR

Vibrations