Geometry & MOs

Info

ID:	287886
PubChem CID:	104297404
Reduced:	BrNOC16H20 (1)
Stoich.:	ABCD16E20 (1)
Weight, g/mol:	323.08848
ΔH_f, kcal/mol:	-3.02
Dipole, Da:	3.92
IP(EA), eV:	-9.66(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-bromo-3-methylphenyl)-(2-propylpiperidin-1-yl)methanone

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)C(=O)NCC(C2CC2)C3CC3)Br

DOS

IR

Vibrations