Geometry & MOs

Info

ID:	30185
PubChem CID:	840529
Reduced:	N2O5C18H20 (1)
Stoich.:	A2B5C18D20 (1)
Weight, g/mol:	138.054161
ΔH_f, kcal/mol:	-110.05
Dipole, Da:	1.28
IP(EA), eV:	-8.37(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-aminopyrimidine-4-carboxamide

Drug info:

PubChemData

Smile

COC1=C(C(=C(C=C1)C=NNC(=O)C2=CC(=CC=C2)OC)OC)OC

DOS

IR

Vibrations