Geometry & MOs

Info

ID:	177541
PubChem CID:	76199296
Reduced:	ON3C16H17 (1)
Stoich.:	AB3C16D17 (1)
Weight, g/mol:	215.105862
ΔH_f, kcal/mol:	0.03
Dipole, Da:	6.27
IP(EA), eV:	-8.78(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

8,9-dimethyl-5,6-dihydro-4aH-pyrrolo[3,4-h]quinazolin-2-one

Drug info:

PubChemData

Smile

C1CC2=CN(C=C2C3C1CNC(=O)N3)C4=CC=CC=C4

DOS

IR

Vibrations