Geometry & MOs

Info

ID:	355550
PubChem CID:	127289308
Reduced:	ON2C11H15 (2)
Stoich.:	AB2C11D15 (2)
Weight, g/mol:	335.17461
ΔH_f, kcal/mol:	-36.56
Dipole, Da:	3.34
IP(EA), eV:	-8.89(0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]-quinolin-6-ylmethanone

Drug info:

PubChemData

Smile

CC1=CC=CC=C1C2(CCOCC2)C(=O)N3CCN(CC3)CC4=NC=CN4C

DOS

IR

Vibrations