Geometry & MOs

Info

ID:	359308
PubChem CID:	127298240
Reduced:	NSO6C16H21 (1)
Stoich.:	ABC6D16E21 (1)
Weight, g/mol:	381.216475
ΔH_f, kcal/mol:	-230.86
Dipole, Da:	9.6
IP(EA), eV:	-9.42(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3,4-dihydro-2H-quinolin-1-yl)-2-[4-(1,5-dimethylpyrazole-3-carbonyl)piperazin-1-yl]ethanone

Drug info:

PubChemData

Smile

C1CC(OC1)CS(=O)(=O)C2=CC=C(C=C2)NC(=O)C3COCCO3

DOS

IR

Vibrations