Geometry & MOs

Info

ID:	244031
PubChem CID:	99309421
Reduced:	O3N4C27H30 (1)
Stoich.:	A3B4C27D30 (1)
Weight, g/mol:	435.19582
ΔH_f, kcal/mol:	-44.54
Dipole, Da:	6.15
IP(EA), eV:	-8.9(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-fluoro-N-[1-[2-(3-methoxyphenyl)acetyl]piperidin-4-yl]-2-methylquinoline-3-carboxamide

Drug info:

PubChemData

Smile

COC1=CC=CC(=C1)CC(=O)N2CCC(CC2)NC(=O)C3=NN(C4=C3CCC4)C5=CC=CC=C5

DOS

IR

Vibrations