Geometry & MOs

Info

ID:	151733
PubChem CID:	56269968
Reduced:	Cl2O2N6C23H24 (1)
Stoich.:	A2B2C6D23E24 (1)
Weight, g/mol:	369.17625
ΔH_f, kcal/mol:	6.12
Dipole, Da:	7.44
IP(EA), eV:	-8.05(-1.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-[(4-methoxyphenyl)methyl]piperidin-1-yl]-[4-(methylsulfanylmethyl)phenyl]methanone

Drug info:

PubChemData

Smile

CCC1=NC(=NN1C2=C(C=CC=C2Cl)Cl)C(=O)NCC(=O)N3CCN(CC3)C4=CC=CC=C4

DOS

IR

Vibrations