Geometry & MOs

Info

ID:	7066
PubChem CID:	71152
Reduced:	ON2C13H14 (1)
Stoich.:	AB2C13D14 (1)
Weight, g/mol:	214.110613
ΔH_f, kcal/mol:	-11.06
Dipole, Da:	2.03
IP(EA), eV:	-9.53(0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-phenyl-3,6,7,8-tetrahydro-2H-pyrrolo[1,2-a]pyrimidin-4-one

Drug info:

PubChemData

Smile

C1CN=C2CC(CN2C1=O)C3=CC=CC=C3

DOS

IR

Vibrations