Geometry & MOs

Info

ID:	238022
PubChem CID:	92728848
Reduced:	FO3N4C17H17 (1)
Stoich.:	AB3C4D17E17 (1)
Weight, g/mol:	499.294725
ΔH_f, kcal/mol:	-55.58
Dipole, Da:	3.88
IP(EA), eV:	-10.11(-1.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-methyl-2-[4-[(3R)-3-methyl-4-(3-methylphenyl)piperazine-1-carbonyl]piperidin-1-yl]quinolin-6-yl]acetamide

Drug info:

PubChemData

Smile

CC[C@H](C)NC(=O)COC1=NC=NC2=C1C(=NO2)C3=CC(=CC=C3)F

DOS

IR

Vibrations