Geometry & MOs

Info

ID:	345800
PubChem CID:	127270100
Reduced:	O3N5C21H21 (1)
Stoich.:	A3B5C21D21 (1)
Weight, g/mol:	336.158626
ΔH_f, kcal/mol:	-39.79
Dipole, Da:	2.26
IP(EA), eV:	-9.1(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-(4-imidazol-1-ylpiperidin-1-yl)-2-oxoethyl]quinolin-4-one

Drug info:

PubChemData

Smile

C1CN(CCC1N2C=CN=C2)C(=O)CN3C(=O)CN4C5=CC=CC=C5C=C4C3=O

DOS

IR

Vibrations