Geometry & MOs

Info

ID:	405153
PubChem CID:	135072790
Reduced:	C13H18 (1)
Stoich.:	A13B18 (1)
Weight, g/mol:	325.098394
ΔH_f, kcal/mol:	54.06
Dipole, Da:	1.41
IP(EA), eV:	-9.15(1.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(cyclohexen-1-ylmethoxycarbonylamino) 4-methylbenzenesulfonate

Drug info:

PubChemData

Smile

CC(=C=C[C@H]1CCCC[C@H]1C#C)C

DOS

IR

Vibrations