Geometry & MOs

Info

ID:	3442
PubChem CID:	9661
Reduced:	NO2C10H15 (1)
Stoich.:	AB2C10D15 (1)
Weight, g/mol:	181.110279
ΔH_f, kcal/mol:	-65.26
Dipole, Da:	2.3
IP(EA), eV:	-10.5(0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1-prop-2-ynylcyclohexyl) carbamate

Drug info:

PubChemData

Smile

C#CCC1(CCCCC1)OC(=O)N

DOS

IR

Vibrations