Geometry & MOs

Info

ID:	164950
PubChem CID:	74477110
Reduced:	FN3O5H16C24 (1)
Stoich.:	AB3C5D16E24 (1)
Weight, g/mol:	373.191403
ΔH_f, kcal/mol:	-40.12
Dipole, Da:	26.51
IP(EA), eV:	-8.15(-3.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

9-(4-fluorophenyl)-1,7-dimethyl-3-prop-2-enyl-6,7,8,9a,10,10a-hexahydro-4aH-purino[7,8-a]pyrimidine-2,4-dione

Drug info:

PubChemData

Smile

CC1=CC(=C(N1C2=CC=C(C=C2)C(=O)[O-])C)C=C3C(=NC(=O)N(C3=O)C4=CC=C(C=C4)F)[O-]

DOS

IR

Vibrations