Geometry & MOs

Info

ID:	390559
PubChem CID:	134999696
Reduced:	NSH8C9 (1)
Stoich.:	ABC8D9 (1)
Weight, g/mol:	245.177964
ΔH_f, kcal/mol:	90.07
Dipole, Da:	2.67
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.923106
Charge, e:	0

Chem-info

IUPAC name:

(1S,2S)-N-hexyl-2-phenylcyclopropane-1-carboxamide

Drug info:

PubChemData

Smile

C#[N+]/C(=C\S)/C1=CC=CC=C1

DOS

IR

Vibrations