Geometry & MOs

Info

ID:	129998
PubChem CID:	51074547
Reduced:	N3O3C15H23 (1)
Stoich.:	A3B3C15D23 (1)
Weight, g/mol:	298.104146
ΔH_f, kcal/mol:	-96.82
Dipole, Da:	4.15
IP(EA), eV:	-8.3(0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2H-benzotriazol-5-yl-[3-(trifluoromethyl)piperidin-1-yl]methanone

Drug info:

PubChemData

Smile

COCCN1CCN(CC1)C(=O)NC2=CC=C(C=C2)OC

DOS

IR

Vibrations