Geometry & MOs

Info

ID:	23882
PubChem CID:	606990
Reduced:	N4O5C14H16 (1)
Stoich.:	A4B5C14D16 (1)
Weight, g/mol:	320.11207
ΔH_f, kcal/mol:	-121.24
Dipole, Da:	4.76
IP(EA), eV:	-8.66(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4,6-diaminopyrimidin-5-yl) 3,4,5-trimethoxybenzoate

Drug info:

PubChemData

Smile

COC1=CC(=CC(=C1OC)OC)C(=O)OC2=C(N=CN=C2N)N

DOS

IR

Vibrations