Geometry & MOs

Info

ID:	277542
PubChem CID:	103829301
Reduced:	SN2O2C14H28 (1)
Stoich.:	AB2C2D14E28 (1)
Weight, g/mol:	261.220498
ΔH_f, kcal/mol:	-112.3
Dipole, Da:	5.29
IP(EA), eV:	-8.78(0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R,4S)-1,3,3-trimethyl-N-(3-pyrazol-1-ylpropyl)bicyclo[2.2.1]heptan-2-amine

Drug info:

PubChemData

Smile

C[C@@]12CC[C@@H](C1)C(C2NCCCNS(=O)(=O)C)(C)C

DOS

IR

Vibrations