Geometry & MOs

Info

ID:	4337
PubChem CID:	11231
Reduced:	N2O3C10H14 (1)
Stoich.:	A2B3C10D14 (1)
Weight, g/mol:	210.100442
ΔH_f, kcal/mol:	-102.11
Dipole, Da:	4.14
IP(EA), eV:	-10.74(-0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1-ethynylcyclohexyl) N-carbamoylcarbamate

Drug info:

PubChemData

Smile

C#CC1(CCCCC1)OC(=O)NC(=O)N

DOS

IR

Vibrations