Geometry & MOs

Info

ID:	123288
PubChem CID:	50840766
Reduced:	ClFON4H20C22 (1)
Stoich.:	ABCD4E20F22 (1)
Weight, g/mol:	393.168856
ΔH_f, kcal/mol:	-9.02
Dipole, Da:	1.87
IP(EA), eV:	-9.09(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3-(4-methoxyphenyl)-4-oxo-2-piperidin-1-ylquinazoline-7-carboxylate

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)C2=CC(=NC=N2)N3CCN(CC3)C(=O)C4=C(C=CC=C4Cl)F

DOS

IR

Vibrations