Geometry & MOs

Info

ID:	358781
PubChem CID:	127296647
Reduced:	SN2O3C17H22 (1)
Stoich.:	AB2C3D17E22 (1)
Weight, g/mol:	316.109089
ΔH_f, kcal/mol:	-90.69
Dipole, Da:	4.29
IP(EA), eV:	-9.66(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-(2-chlorophenyl)-5-methyltriazol-4-yl]-(4-methylidenepiperidin-1-yl)methanone

Drug info:

PubChemData

Smile

C=C1CCN(CC1)C(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCCC3

DOS

IR

Vibrations