Geometry & MOs

Info

ID:	122995
PubChem CID:	50829635
Reduced:	ClO3N4H23C25 (1)
Stoich.:	AB3C4D23E25 (1)
Weight, g/mol:	391.189592
ΔH_f, kcal/mol:	-50.54
Dipole, Da:	3.21
IP(EA), eV:	-8.32(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2,4-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

CCOC(=O)CC(C1=CC=CC=C1)NC(=O)NC2=C(NC3=C2C=CC=C3Cl)C4=CC=NC=C4

DOS

IR

Vibrations