Geometry & MOs

Info

ID:	216875
PubChem CID:	85086916
Reduced:	NO3C19H21 (1)
Stoich.:	AB3C19D21 (1)
Weight, g/mol:	315.194677
ΔH_f, kcal/mol:	-85.28
Dipole, Da:	4.79
IP(EA), eV:	-9.39(-0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-phenyl-1,3-dipropyl-5,6,7,7a-tetrahydro-4aH-pyrrolo[3,2-d]pyrimidine-2,4-dione

Drug info:

PubChemData

Smile

CC1=C(C2C3C(C1C4=CC=CC=C24)C(=O)N(C3=O)CCCO)C

DOS

IR

Vibrations