Geometry & MOs

Info

ID:	363721
PubChem CID:	127313339
Reduced:	N3O3C22H29 (1)
Stoich.:	A3B3C22D29 (1)
Weight, g/mol:	386.231791
ΔH_f, kcal/mol:	-89.14
Dipole, Da:	4.45
IP(EA), eV:	-8.99(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-[4-(cyclobutanecarbonyl)piperazin-1-yl]ethyl]-2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide

Drug info:

PubChemData

Smile

CC1=C2C(=CC=C1)C(=C(O2)C(=O)NCCN3CCN(CC3)C(=O)C4CCC4)C

DOS

IR

Vibrations