Geometry & MOs

Info

ID:	193138
PubChem CID:	78349903
Reduced:	SN3C6H7 (1)
Stoich.:	AB3C6D7 (1)
Weight, g/mol:	243.133139
ΔH_f, kcal/mol:	70.47
Dipole, Da:	6.54
IP(EA), eV:	-8.69(-1.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-amino-6-(1,2-dihydroxypropyl)-2,3,5,6,7,8-hexahydro-1H-pteridin-4-one

Drug info:

PubChemData

Smile

CC1=NC(=S)C(=C)C(=N1)N

DOS

IR

Vibrations