Geometry & MOs

Info

ID:	448451
PubChem CID:	135291036
Reduced:	N2O5C21H24 (1)
Stoich.:	A2B5C21D24 (1)
Weight, g/mol:	260.141245
ΔH_f, kcal/mol:	-173.3
Dipole, Da:	3.98
IP(EA), eV:	-8.83(0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

benzyl 1-acetylcyclohexane-1-carboxylate

Drug info:

PubChemData

Smile

CNC(=O)[C@H](CC1=CC=C(C=C1)OCC2=CC=CC=C2)NC(=O)CCC(=O)O

DOS

IR

Vibrations