Geometry & MOs

Info

ID:	62319
PubChem CID:	26719214
Reduced:	N2O2H20C23 (1)
Stoich.:	A2B2C20D23 (1)
Weight, g/mol:	333.147727
ΔH_f, kcal/mol:	11.33
Dipole, Da:	7.05
IP(EA), eV:	-8.24(-0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2,3-dimethylphenyl)-9-oxo-2,3-dihydro-1H-pyrrolo[2,1-b]quinazoline-6-carboxamide

Drug info:

PubChemData

Smile

COC1=CC=CC=C1NC(=O)C2=CN(C3=CC=CC=C32)CC4=CC=CC=C4

DOS

IR

Vibrations