Geometry & MOs

Info

ID:	208609
PubChem CID:	80551534
Reduced:	O2N3C14H25 (1)
Stoich.:	A2B3C14D25 (1)
Weight, g/mol:	344.06549
ΔH_f, kcal/mol:	-110.44
Dipole, Da:	1.1
IP(EA), eV:	-8.89(0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[1-[(2-bromo-5-chlorophenyl)methyl]piperidin-4-yl]methyl]ethanamine

Drug info:

PubChemData

Smile

CCNCC1CCN(CC1)C(=O)CN2CCCC2=O

DOS

IR

Vibrations