Geometry & MOs

Info

ID:	26971
PubChem CID:	807344
Reduced:	BrNOC14H18 (1)
Stoich.:	ABCD14E18 (1)
Weight, g/mol:	334.181191
ΔH_f, kcal/mol:	-50.48
Dipole, Da:	2.38
IP(EA), eV:	-8.98(-0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-(4-methylpiperidin-1-yl)methanone

Drug info:

PubChemData

Smile

C1CCC(CC1)CC(=O)NC2=CC=CC=C2Br

DOS

IR

Vibrations