Geometry & MOs

Info

ID:	40308
PubChem CID:	8143907
Reduced:	SN3O3C15H19 (1)
Stoich.:	AB3C3D15E19 (1)
Weight, g/mol:	323.08848
ΔH_f, kcal/mol:	-45.9
Dipole, Da:	6.18
IP(EA), eV:	-8.67(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R,2S)-N-(4-bromophenyl)-2-hexylcyclopropane-1-carboxamide

Drug info:

PubChemData

Smile

COC1=CC(=CC(=C1)C2=NN(C(=S)O2)CN3CCCC3)OC

DOS

IR

Vibrations