Geometry & MOs

Info

ID:	266825
PubChem CID:	103579691
Reduced:	BrNC10H14 (1)
Stoich.:	ABC10D14 (1)
Weight, g/mol:	324.08373
ΔH_f, kcal/mol:	-3.47
Dipole, Da:	3.53
IP(EA), eV:	-8.23(0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-bromo-3,5-dimethylanilino)-1-piperidin-1-ylethanone

Drug info:

PubChemData

Smile

CCNC1=CC(=C(C(=C1)C)Br)C

DOS

IR

Vibrations