Geometry & MOs

Info

ID:	413852
PubChem CID:	135086802
Reduced:	NOC8H11 (2)
Stoich.:	ABC8D11 (2)
Weight, g/mol:	405.15896
ΔH_f, kcal/mol:	-39.25
Dipole, Da:	7.48
IP(EA), eV:	-8.09(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(5,6-diphenyl-1,2,4-triazin-3-yl)methyl]indole-1-carboxamide

Drug info:

PubChemData

Smile

CCOC(CN/C=C/1\C=NC2=C1C=CC(=C2)C)OCC

DOS

IR

Vibrations