Geometry & MOs

Info

ID:	28110
PubChem CID:	825621
Reduced:	NOCl2C14H15 (1)
Stoich.:	ABC2D14E15 (1)
Weight, g/mol:	281.04153
ΔH_f, kcal/mol:	-42.55
Dipole, Da:	4.64
IP(EA), eV:	-9.03(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2-bromophenyl)-[(2S)-2-methylpiperidin-1-yl]methanone

Drug info:

PubChemData

Smile

CC1(CC(=CC(=O)C1)NC2=C(C(=CC=C2)Cl)Cl)C

DOS

IR

Vibrations