Geometry & MOs

Info

ID:	217477
PubChem CID:	85087878
Reduced:	NO4C22H25 (1)
Stoich.:	AB4C22D25 (1)
Weight, g/mol:	369.216475
ΔH_f, kcal/mol:	-1.22
Dipole, Da:	7.93
IP(EA), eV:	-8.63(-0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

8-[2-(3-aminophenyl)ethenyl]-7-methyl-1,3-dipropyl-4,5-dihydropurine-2,6-dione

Drug info:

PubChemData

Smile

CC1=CC2C(C(C#CCCCCC1O2)OC3=CC=C(C=C3)[N+](=O)[O-])C(=C)C

DOS

IR

Vibrations