Geometry & MOs

Info

ID:	289055
PubChem CID:	104332983
Reduced:	ClN2O2C15H21 (1)
Stoich.:	AB2C2D15E21 (1)
Weight, g/mol:	324.08373
ΔH_f, kcal/mol:	-86.93
Dipole, Da:	7.25
IP(EA), eV:	-8.87(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3-bromophenyl)-N-[(3-methylpiperidin-3-yl)methyl]acetamide

Drug info:

PubChemData

Smile

CC1(CCCNC1)CNC(=O)C2=C(C=CC(=C2)Cl)OC

DOS

IR

Vibrations