Geometry & MOs

Info

ID:	337461
PubChem CID:	127257146
Reduced:	ON5C9H15 (1)
Stoich.:	AB5C9D15 (1)
Weight, g/mol:	319.14331
ΔH_f, kcal/mol:	-9.37
Dipole, Da:	8.29
IP(EA), eV:	-8.09(-0.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(6R,7S)-2-amino-6,7-diphenyl-5,6,7,8-tetrahydro-1H-pteridin-4-one

Drug info:

PubChemData

Smile

C[C@H]1[C@H](N(C2=C(N1)NC(=NC2=O)N)C)C

DOS

IR

Vibrations