Geometry & MOs

Info

ID:	233041
PubChem CID:	87691672
Reduced:	NO4C10H13 (1)
Stoich.:	AB4C10D13 (1)
Weight, g/mol:	522.153079
ΔH_f, kcal/mol:	-115.53
Dipole, Da:	2.85
IP(EA), eV:	-10.07(-1.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[2-[2-amino-6-chloro-9-[(4-methoxy-3,5-dimethylpyridin-2-yl)methyl]-8-oxopurin-7-yl]ethyl]-1H-quinazoline-2,4-dione

Drug info:

PubChemData

Smile

C=CCN(CC=C)/C(=C\C(=O)O)/C(=O)O

DOS

IR

Vibrations