Geometry & MOs

Info

ID:	36578
PubChem CID:	8009070
Reduced:	NO2C14H24 (1)
Stoich.:	AB2C14D24 (1)
Weight, g/mol:	390.180424
ΔH_f, kcal/mol:	-64.28
Dipole, Da:	5.95
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.077732
Charge, e:	0

Chem-info

IUPAC name:

4-amino-3-[[(2R)-2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]amino]-6-methyl-1,2,4-triazin-5-one

Drug info:

PubChemData

Smile

CC(C)OCCC[NH2+]CC1=CC=C(C=C1)OC

DOS

IR

Vibrations