Geometry & MOs

Info

ID:	339209
PubChem CID:	127260588
Reduced:	O2C13H22 (1)
Stoich.:	A2B13C22 (1)
Weight, g/mol:	243.125929
ΔH_f, kcal/mol:	-102.49
Dipole, Da:	1.7
IP(EA), eV:	-9.91(0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

cyclohexyl N-(2-phenylethynyl)carbamate

Drug info:

PubChemData

Smile

CC(/C=C/C1(C(=C)CCCC1(C)C)O)O

DOS

IR

Vibrations