Geometry & MOs

Info

ID:	58636
PubChem CID:	24712375
Reduced:	FO2N3C16H18 (1)
Stoich.:	AB2C3D16E18 (1)
Weight, g/mol:	315.158292
ΔH_f, kcal/mol:	-100.75
Dipole, Da:	5.45
IP(EA), eV:	-9.23(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(3-methoxyphenyl)-1-methyl-6-propyl-4,7-dihydro-3H-pyrrolo[3,4-d]pyrimidine-2,5-dione

Drug info:

PubChemData

Smile

CC(C)N1CC2=C(C1=O)C(NC(=O)N2C)C3=CC=CC=C3F

DOS

IR

Vibrations