Geometry & MOs

Info

ID:	298674
PubChem CID:	117653845
Reduced:	O3N4H18C19 (1)
Stoich.:	A3B4C18D19 (1)
Weight, g/mol:	356.140389
ΔH_f, kcal/mol:	8.44
Dipole, Da:	1.57
IP(EA), eV:	-8.44(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(7R)-2-chloro-8-cyclohexyl-7-methyl-5-phenyl-7H-pteridin-6-one

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C(=O)NNC(=O)C2C(=CC=CO2)N(C3=CC=CC=C3)N

DOS

IR

Vibrations