Geometry & MOs

Info

ID:	375225
PubChem CID:	131480958
Reduced:	NF3C8H14 (1)
Stoich.:	AB3C8D14 (1)
Weight, g/mol:	222.062714
ΔH_f, kcal/mol:	-192.55
Dipole, Da:	4.76
IP(EA), eV:	-9.53(1.78)
Spin(S_z, S²):	None, None
Charge, e:	-1

Chem-info

IUPAC name:

2-amino-6,7-dimethyl-5,8-dioxidopteridin-5-ium-4-one

Drug info:

PubChemData

Smile

CC1(CC(NC1)(C)C(F)(F)F)C

DOS

IR

Vibrations