Geometry & MOs

Info

ID:	73417
PubChem CID:	48417655
Reduced:	OF3N4C22H23 (1)
Stoich.:	AB3C4D22E23 (1)
Weight, g/mol:	417.177645
ΔH_f, kcal/mol:	-119.4
Dipole, Da:	6.76
IP(EA), eV:	-8.94(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2H-benzotriazol-5-yl-[4-[methyl-[[3-(trifluoromethyl)phenyl]methyl]amino]piperidin-1-yl]methanone

Drug info:

PubChemData

Smile

CN(CC1=CC(=CC=C1)C(F)(F)F)C2CCN(CC2)C(=O)C3=NNC4=CC=CC=C43

DOS

IR

Vibrations