Geometry & MOs

Info

ID:	220365
PubChem CID:	85177600
Reduced:	OC18H28 (1)
Stoich.:	AB18C28 (1)
Weight, g/mol:	263.093286
ΔH_f, kcal/mol:	-56.07
Dipole, Da:	3.96
IP(EA), eV:	-9.64(0.95)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

3-(1H-indazol-3-yl)-4aH-quinazolin-3-ium-4-one

Drug info:

PubChemData

Smile

CC(C)CC#CC(C)C1CCC2C1(CCCC2=O)C

DOS

IR

Vibrations