Geometry & MOs

Info

ID:	172034
PubChem CID:	75456350
Reduced:	FSN3O4H16C18 (1)
Stoich.:	ABC3D4E16F18 (1)
Weight, g/mol:	409.260838
ΔH_f, kcal/mol:	-164.93
Dipole, Da:	4.25
IP(EA), eV:	-8.91(-1.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1-butyl-5-chloro-3-methylpyrazol-4-yl)-[4-methyl-4-[(4-methylpiperazin-1-yl)methyl]piperidin-1-yl]methanone

Drug info:

PubChemData

Smile

CC1(C2=C(C=CC(=C2)S(=O)(=O)N3CC(=O)NC4=C3C=CC=C4F)NC1=O)C

DOS

IR

Vibrations