Geometry & MOs

Info

ID:	236987
PubChem CID:	92716639
Reduced:	Cl2N2O3H16C21 (1)
Stoich.:	A2B2C3D16E21 (1)
Weight, g/mol:	404.184841
ΔH_f, kcal/mol:	-54.83
Dipole, Da:	2.92
IP(EA), eV:	-9.45(-1.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-N-(2-ethoxyphenyl)-2-(8-methyl-1-oxo-[1,2,4]triazino[4,5-a]indol-2-yl)butanamide

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)[C@H](C2=CC=C(C=C2)Cl)NC(=O)COC(=O)C3=C(N=CC=C3)Cl

DOS

IR

Vibrations