Geometry & MOs

Info

ID:	88649
PubChem CID:	49955914
Reduced:	ClNOC16H27 (1)
Stoich.:	ABCD16E27 (1)
Weight, g/mol:	374.071946
ΔH_f, kcal/mol:	-62.06
Dipole, Da:	1.39
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.755420
Charge, e:	-2

Chem-info

IUPAC name:

N-[[5-(4-chlorophenyl)furan-2-yl]methyl]-1-piperidin-4-ylmethanamine;dichloride

Drug info:

PubChemData

Smile

CC(C)C1=CC=C(C=C1)CNCCCOC(C)C.[Cl-]

DOS

IR

Vibrations