Geometry & MOs

Info

ID:	236991
PubChem CID:	92716648
Reduced:	O3N4C23H24 (1)
Stoich.:	A3B4C23D24 (1)
Weight, g/mol:	418.200491
ΔH_f, kcal/mol:	-41.33
Dipole, Da:	5.47
IP(EA), eV:	-8.34(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC[C@H](C(=O)NC1=CC=CC=C1OC)N2C(=O)C3=CC4=C(N3C(=N2)C)C=CC(=C4)C

DOS

IR

Vibrations