Geometry & MOs

Info

ID:	391796
PubChem CID:	135009682
Reduced:	SN2C13H14 (1)
Stoich.:	AB2C13D14 (1)
Weight, g/mol:	125.084064
ΔH_f, kcal/mol:	95.08
Dipole, Da:	7.57
IP(EA), eV:	-8.56(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E,4R)-4-isocyanatohex-2-ene

Drug info:

PubChemData

Smile

C=CCN(CC=C)C1=CC=C(C=C1)SC#N

DOS

IR

Vibrations