Geometry & MOs

Info

ID:	274185
PubChem CID:	103807610
Reduced:	O2N4C13H20 (1)
Stoich.:	A2B4C13D20 (1)
Weight, g/mol:	358.04475
ΔH_f, kcal/mol:	-53.91
Dipole, Da:	4.61
IP(EA), eV:	-9.09(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2-bromo-4-chlorophenyl)-[4-(ethylaminomethyl)piperidin-1-yl]methanone

Drug info:

PubChemData

Smile

CCNCC1CCN(CC1)C(=O)C2=NNC(=O)C=C2

DOS

IR

Vibrations