Geometry & MOs

Info

ID:	392041
PubChem CID:	135012147
Reduced:	N2O2H10C11 (2)
Stoich.:	A2B2C10D11 (2)
Weight, g/mol:	240.136159
ΔH_f, kcal/mol:	-69.1
Dipole, Da:	5.96
IP(EA), eV:	-8.73(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl (E)-3-[(1R,2S)-2-(2-oxoethyl)cyclohexyl]oxyprop-2-enoate

Drug info:

PubChemData

Smile

CCOC(=O)C1=C(N(N=C(C12C3=CC=CC=C3NC2=O)C(=O)C)C4=CC=CC=C4)N

DOS

IR

Vibrations