Geometry & MOs

Info

ID:	216560
PubChem CID:	85086420
Reduced:	ClO3C15H17 (1)
Stoich.:	AB3C15D17 (1)
Weight, g/mol:	285.147727
ΔH_f, kcal/mol:	-94.95
Dipole, Da:	2.67
IP(EA), eV:	-9.81(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1,3-dimethyl-6-(2-phenylethenyl)-5,6,7,7a-tetrahydro-4aH-pyrrolo[3,2-d]pyrimidine-2,4-dione

Drug info:

PubChemData

Smile

COC(CCC(=O)CC(=O)C1=CC=CC=C1)C=CCl

DOS

IR

Vibrations