Geometry & MOs

Info

ID:	352119
PubChem CID:	127283187
Reduced:	SN2O3C20H22 (1)
Stoich.:	AB2C3D20E22 (1)
Weight, g/mol:	258.148061
ΔH_f, kcal/mol:	-84.86
Dipole, Da:	10.01
IP(EA), eV:	-9.34(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1-methylbenzotriazol-5-yl)-(2-methylpiperidin-1-yl)methanone

Drug info:

PubChemData

Smile

C1CCN(C1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)C3CCC4=CC=CC=C34

DOS

IR

Vibrations