Geometry & MOs

Info

ID:	65797
PubChem CID:	46386881
Reduced:	N3O4C22H23 (1)
Stoich.:	A3B4C22D23 (1)
Weight, g/mol:	407.184506
ΔH_f, kcal/mol:	-121.32
Dipole, Da:	3.37
IP(EA), eV:	-8.76(-0.73)
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-methoxy-2-methylphenyl)acetamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations