Geometry & MOs

Info

ID:	41485
PubChem CID:	8145955
Reduced:	N3O4C21H27 (1)
Stoich.:	A3B4C21D27 (1)
Weight, g/mol:	272.163711
ΔH_f, kcal/mol:	-135.35
Dipole, Da:	2.87
IP(EA), eV:	-8.52(0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(benzotriazol-1-yl)-1-[(3S,5S)-3,5-dimethylpiperidin-1-yl]ethanone

Drug info:

PubChemData

Smile

C1CC[C@H]2[C@@H](C1)C(=O)N(C2=O)CN3CCN(CC3)CC4=CC5=C(C=C4)OCO5

DOS

IR

Vibrations