Geometry & MOs

Info

ID:	142516
PubChem CID:	53048475
Reduced:	O3N4H17C18 (1)
Stoich.:	A3B4C17D18 (1)
Weight, g/mol:	336.12224
ΔH_f, kcal/mol:	-31.29
Dipole, Da:	1.95
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.992222
Charge, e:	0

Chem-info

IUPAC name:

2-[5-(4-methoxyphenyl)-3-oxo-1,2,4-triazin-2-yl]-N-phenylacetamide

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)C2=[NH+]C(=O)N(N=C2)CC(=O)NC3=CC=CC=C3

DOS

IR

Vibrations