Geometry & MOs

Info

ID:	177243
PubChem CID:	76151388
Reduced:	N3O4C21H21 (1)
Stoich.:	A3B4C21D21 (1)
Weight, g/mol:	395.148121
ΔH_f, kcal/mol:	-84.73
Dipole, Da:	4.37
IP(EA), eV:	-8.89(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[2-[4-(2-methyl-6-oxopyran-4-yl)oxypiperidin-1-yl]-2-oxoethyl]quinazolin-4-one

Drug info:

PubChemData

Smile

CC1=CC(=CC(=O)O1)OC2CCN(C2)C(=O)C3=CC(=NN3C)C4=CC=CC=C4

DOS

IR

Vibrations