Geometry & MOs

Info

ID:	185085
PubChem CID:	77252117
Reduced:	O4C7H8 (3)
Stoich.:	A4B7C8 (3)
Weight, g/mol:	431.131757
ΔH_f, kcal/mol:	-479.13
Dipole, Da:	3.02
IP(EA), eV:	-8.93(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-amino-7-[2-[5-amino-3-(2,2,2-trifluoroethoxy)pyrazin-2-yl]phenyl]-7,8-dihydro-6H-pyrido[4,3-d]pyrimidin-5-one

Drug info:

PubChemData

Smile

C1C(C(OC2=C1C(=C(C(=C2)O)OC3C(C(C(C(O3)CO)O)O)O)O)C4=CC(=C(C=C4)O)O)O

DOS

IR

Vibrations