Geometry & MOs

Info

ID:	28352
PubChem CID:	827165
Reduced:	NOSC21H25 (1)
Stoich.:	ABCD21E25 (1)
Weight, g/mol:	314.154976
ΔH_f, kcal/mol:	-5.98
Dipole, Da:	2.84
IP(EA), eV:	-8.36(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(1-benzyl-4-chloropiperidin-4-yl)methyl]aniline

Drug info:

PubChemData

Smile

C1CCN(CC1)CCC[C@@H]2C3=CC=CC=C3SC4=CC=CC=C4O2

DOS

IR

Vibrations