Geometry & MOs

Info

ID:	435350
PubChem CID:	135191267
Reduced:	ON7C16H17 (1)
Stoich.:	AB7C16D17 (1)
Weight, g/mol:	363.180758
ΔH_f, kcal/mol:	52.53
Dipole, Da:	6.22
IP(EA), eV:	-8.28(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-amino-2-(5-cyclopropyl-1H-imidazol-2-yl)-9-[(2E,4Z)-2-ethenylhexa-2,4-dienyl]-7H-purin-8-one

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)CN2C3=C(C(N=C(N3)C4=NC=CN4)N)NC2=O

DOS

IR

Vibrations