Geometry & MOs

Info

ID:	221108
PubChem CID:	85256839
Reduced:	NO3C16H23 (1)
Stoich.:	AB3C16D23 (1)
Weight, g/mol:	277.204179
ΔH_f, kcal/mol:	-123.29
Dipole, Da:	2.37
IP(EA), eV:	-9.81(0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-(1-cyano-2-cyclohexylcyclohexyl)acetate

Drug info:

PubChemData

Smile

CCCCCC1C2CC(C1C(=O)N3CCOC3=O)C=C2

DOS

IR

Vibrations