Geometry & MOs

Info

ID:	362055
PubChem CID:	127305592
Reduced:	S2N3O3C18H27 (1)
Stoich.:	A2B3C3D18E27 (1)
Weight, g/mol:	285.15896
ΔH_f, kcal/mol:	-102.05
Dipole, Da:	2.91
IP(EA), eV:	-9.09(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1-azabicyclo[2.2.2]octan-3-yl)-N-methyl-2H-benzotriazole-5-carboxamide

Drug info:

PubChemData

Smile

CN(C1CN2CCC1CC2)C(=O)CC3=CC=C(S3)S(=O)(=O)N4CCCC4

DOS

IR

Vibrations