Geometry & MOs

Info

ID:	169744
PubChem CID:	75143321
Reduced:	N2O3C11H13 (2)
Stoich.:	A2B3C11D13 (2)
Weight, g/mol:	505.196134
ΔH_f, kcal/mol:	-172.75
Dipole, Da:	3.87
IP(EA), eV:	-8.27(-0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3,4-dimethoxyphenyl)-4-[(3-methoxyphenyl)methyl]-3,5-dioxo-N-(pyridin-3-ylmethyl)-1,2,4-triazinane-6-carboxamide

Drug info:

PubChemData

Smile

CCNC(=O)C1C(=O)N(C(=O)N(N1)C2=CC(=C(C=C2)OC)OC)CC3=CC(=CC=C3)OC

DOS

IR

Vibrations