Geometry & MOs

Info

ID:	156366
PubChem CID:	56370295
Reduced:	BrNSO3C21H24 (1)
Stoich.:	ABCD3E21F24 (1)
Weight, g/mol:	433.236542
ΔH_f, kcal/mol:	-84.19
Dipole, Da:	8.01
IP(EA), eV:	-9.54(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[2-(3,4-dimethoxyphenyl)ethyl]piperidin-1-yl]-[4-(4-methylpyrazol-1-yl)phenyl]methanone

Drug info:

PubChemData

Smile

CC(C)(C(=O)N1CCC(CC1)C2=CC=CC=C2)S(=O)(=O)C3=CC=C(C=C3)Br

DOS

IR

Vibrations