Geometry & MOs

Info

ID:	28011
PubChem CID:	824832
Reduced:	NO2H17C18 (1)
Stoich.:	AB2C17D18 (1)
Weight, g/mol:	256.14633
ΔH_f, kcal/mol:	1.2
Dipole, Da:	3.03
IP(EA), eV:	-8.86(0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-phenyl-1-prop-1-ynylcyclohexyl) acetate

Drug info:

PubChemData

Smile

CC#C[C@@H](CC1=CC=CC=C1)OC(=O)NC2=CC=CC=C2

DOS

IR

Vibrations