Geometry & MOs

Info

ID:	337460
PubChem CID:	127257145
Reduced:	OC17H30 (1)
Stoich.:	AB17C30 (1)
Weight, g/mol:	209.12766
ΔH_f, kcal/mol:	-59.27
Dipole, Da:	1.99
IP(EA), eV:	-9.48(1.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(6R,7S)-2-amino-5,6,7-trimethyl-1,6,7,8-tetrahydropteridin-4-one

Drug info:

PubChemData

Smile

CCCCC/C=C/C/C=C\CC/C=C\CCCO

DOS

IR

Vibrations