Geometry & MOs

Info

ID:	8801
PubChem CID:	81710
Reduced:	N2Cl3C20H27 (1)
Stoich.:	A2B3C20D27 (1)
Weight, g/mol:	400.123982
ΔH_f, kcal/mol:	-39.3
Dipole, Da:	4.96
IP(EA), eV:	-9.28(-0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(1-benzylpiperidin-4-yl)-N-[(4-chlorophenyl)methyl]methanamine;dihydrochloride

Drug info:

PubChemData

Smile

C1CN(CCC1CNCC2=CC=C(C=C2)Cl)CC3=CC=CC=C3.Cl.Cl

DOS

IR

Vibrations