Geometry & MOs

Info

ID:	435336
PubChem CID:	135191231
Reduced:	NC20H21 (1)
Stoich.:	AB20C21 (1)
Weight, g/mol:	375.180758
ΔH_f, kcal/mol:	22.96
Dipole, Da:	2.31
IP(EA), eV:	-7.7(0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-amino-2-(1,4-dihydropyridin-2-yl)-9-(1,2,3,4-tetrahydroisoquinolin-7-ylmethyl)-7H-purin-8-one

Drug info:

PubChemData

Smile

C1CC2=CC3=C(CC4=CC=CC=C4C3)C5=C2N(C1)CCC5

DOS

IR

Vibrations