Geometry & MOs

Info

ID:	22446
PubChem CID:	597206
Reduced:	N4O5C16H20 (1)
Stoich.:	A4B5C16D20 (1)
Weight, g/mol:	348.14337
ΔH_f, kcal/mol:	-141.61
Dipole, Da:	4.1
IP(EA), eV:	-8.52(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-amino-2-ethoxy-N-(3,4,5-trimethoxyphenyl)pyrimidine-5-carboxamide

Drug info:

PubChemData

Smile

CCOC1=NC=C(C(=N1)N)C(=O)NC2=CC(=C(C(=C2)OC)OC)OC

DOS

IR

Vibrations