Geometry & MOs

Info

ID:	387864
PubChem CID:	134987189
Reduced:	FN2O3H5C9 (1)
Stoich.:	AB2C3D5E9 (1)
Weight, g/mol:	216.101111
ΔH_f, kcal/mol:	-52.98
Dipole, Da:	3.02
IP(EA), eV:	-9.88(-2.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-amino-6-methyl-3-prop-2-enylpyrido[3,4-d]pyrimidin-4-one

Drug info:

PubChemData

Smile

C1=CC2=C(C=C1[N+](=O)[O-])NC(=O)C(=C2)F

DOS

IR

Vibrations