Geometry & MOs

Info

ID:	11451
PubChem CID:	115723
Reduced:	N3O3C16H19 (1)
Stoich.:	A3B3C16D19 (1)
Weight, g/mol:	301.142641
ΔH_f, kcal/mol:	-94.07
Dipole, Da:	4.78
IP(EA), eV:	-9.13(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[3-(3-hydroxypiperidin-2-yl)-2-oxopropyl]quinazolin-4-one

Drug info:

PubChemData

Smile

C1CC(C(NC1)CC(=O)CN2C=NC3=CC=CC=C3C2=O)O

DOS

IR

Vibrations