Geometry & MOs

Info

ID:	446001
PubChem CID:	135271252
Reduced:	OC12H22 (1)
Stoich.:	AB12C22 (1)
Weight, g/mol:	387.169525
ΔH_f, kcal/mol:	-77.64
Dipole, Da:	3.01
IP(EA), eV:	-9.57(0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(5-methyl-1H-indazol-4-yl)-7-(1-prop-2-enoylazetidin-3-yl)-1,4-dihydroquinazolin-2-one

Drug info:

PubChemData

Smile

CCC1(CCC1)C(=O)CC(C)(C)C

DOS

IR

Vibrations