Geometry & MOs

Info

ID:	81071
PubChem CID:	49854314
Reduced:	ON2C19H28 (1)
Stoich.:	AB2C19D28 (1)
Weight, g/mol:	425.213698
ΔH_f, kcal/mol:	-18.35
Dipole, Da:	1.47
IP(EA), eV:	-8.17(0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-ethyl-1-[4-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]phenyl]-3-azabicyclo[3.1.0]hexane

Drug info:

PubChemData

Smile

CCN1C[C@H]2C[C@]2(C1)C3=CC=C(C=C3)N4CC(OC(C4)C)C

DOS

IR

Vibrations