Geometry & MOs

Info

ID:	73668
PubChem CID:	48419696
Reduced:	BrOSN2C17H17 (1)
Stoich.:	ABCD2E17F17 (1)
Weight, g/mol:	388.226312
ΔH_f, kcal/mol:	24.36
Dipole, Da:	2.37
IP(EA), eV:	-8.17(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-[(3-methylphenyl)methyl]piperidin-4-yl]-3-(3-methylpyrazol-1-yl)benzamide

Drug info:

PubChemData

Smile

CN1C=C(C2=CC=CC=C21)CC(=O)N(C)CC3=CC(=CS3)Br

DOS

IR

Vibrations