Geometry & MOs

Info

ID:	236988
PubChem CID:	92716643
Reduced:	O3N4C23H24 (1)
Stoich.:	A3B4C23D24 (1)
Weight, g/mol:	404.184841
ΔH_f, kcal/mol:	-39.92
Dipole, Da:	5.32
IP(EA), eV:	-8.38(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC[C@H](C(=O)NC1=CC=CC=C1OCC)N2C(=O)C3=CC4=C(N3C=N2)C=CC(=C4)C

DOS

IR

Vibrations