Geometry & MOs

Info

ID:	170366
PubChem CID:	75221653
Reduced:	ON9H19C24 (1)
Stoich.:	AB9C19D24 (1)
Weight, g/mol:	409.127385
ΔH_f, kcal/mol:	209.25
Dipole, Da:	14.77
IP(EA), eV:	-9.37(-1.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(4-methyl-2-oxo-3,4-dihydro-1H-1,5-benzodiazepin-5-yl)-2-oxoethyl] 3-(3-nitrophenyl)prop-2-enoate

Drug info:

PubChemData

Smile

CC(=NNC(=O)C1=NN(C(=N1)C2=CC=CC=C2)C3=CC=CC=C3)C4=CC(=CC=C4)N5C=NN=N5

DOS

IR

Vibrations