Geometry & MOs

Info

ID:	417727
PubChem CID:	135102615
Reduced:	SN2O2C19H30 (1)
Stoich.:	AB2C2D19E30 (1)
Weight, g/mol:	235.179696
ΔH_f, kcal/mol:	-76.84
Dipole, Da:	7.92
IP(EA), eV:	-8.75(-0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(1S,5R)-3-(2,5-dimethyl-1,2,4-triazol-3-yl)-3-azabicyclo[3.1.0]hexan-6-yl]-N,N-dimethylmethanamine

Drug info:

PubChemData

Smile

CN(C)C1C[C@@H]2CC(C[C@@H]2C1)N(C)CC3=CC=C(C=C3)S(=O)(=O)C

DOS

IR

Vibrations