Geometry & MOs

Info

ID:	23930
PubChem CID:	607137
Reduced:	N4O5C14H16 (1)
Stoich.:	A4B5C14D16 (1)
Weight, g/mol:	320.11207
ΔH_f, kcal/mol:	-120.62
Dipole, Da:	4.88
IP(EA), eV:	-9.06(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(6-amino-5-hydroxypyrimidin-4-yl)-3,4,5-trimethoxybenzamide

Drug info:

PubChemData

Smile

COC1=CC(=CC(=C1OC)OC)C(=O)NC2=NC=NC(=C2O)N

DOS

IR

Vibrations