Geometry & MOs

Info

ID:	362962
PubChem CID:	127309980
Reduced:	N2O3C16H20 (1)
Stoich.:	A2B3C16D20 (1)
Weight, g/mol:	393.18009
ΔH_f, kcal/mol:	-105.01
Dipole, Da:	4.58
IP(EA), eV:	-8.8(-0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(7,7-dimethyl-2,5-dioxo-6,8-dihydro-1H-quinolin-3-yl)-3-oxo-2-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)propanenitrile

Drug info:

PubChemData

Smile

CC1CCN(C1)C(=O)C(=O)N2CC(OC3=CC=CC=C32)C

DOS

IR

Vibrations