Geometry & MOs

Info

ID:	176096
PubChem CID:	75995654
Reduced:	ON6C27H28 (1)
Stoich.:	AB6C27D28 (1)
Weight, g/mol:	425.163394
ΔH_f, kcal/mol:	84.02
Dipole, Da:	11.35
IP(EA), eV:	-8.43(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-ethyl-5-methyl-2-[1-methyl-3-(1,3-thiazol-2-yl)pyrazol-4-yl]-8-(oxolan-3-yl)-7H-pteridin-6-one

Drug info:

PubChemData

Smile

C1CC(C1)(C2=CC=C(C=C2)N3C4C(CCC(=C5C=CC(=O)C=C5)N4)N=C3C6=C(N=CC=C6)N)N

DOS

IR

Vibrations