Geometry & MOs

Info

ID:	25945
PubChem CID:	634477
Reduced:	NOH10C14 (2)
Stoich.:	ABC10D14 (2)
Weight, g/mol:	419.155515
ΔH_f, kcal/mol:	80.99
Dipole, Da:	3.12
IP(EA), eV:	-8.54(-1.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-(benzenesulfonyl)phenyl]-(4-benzylpiperidin-1-yl)methanone

Drug info:

PubChemData

Smile

COC1=CC2=C(C=C1)C(=NN=C3C4=C(C=C(C=C4)OC)C5=CC=CC=C53)C6=CC=CC=C62

DOS

IR

Vibrations