Geometry & MOs

Info

ID:	72496
PubChem CID:	48416238
Reduced:	N2O5C23H26 (1)
Stoich.:	A2B5C23D26 (1)
Weight, g/mol:	345.194008
ΔH_f, kcal/mol:	-153.17
Dipole, Da:	3.18
IP(EA), eV:	-8.75(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-[(cyclohex-3-ene-1-carbonylamino)methyl]-3-(4-ethoxyphenyl)propanoate

Drug info:

PubChemData

Smile

CCOC1=CC=C(C=C1)CC(CNC(=O)C(C)OC2=CC=C(C=C2)C#N)C(=O)OC

DOS

IR

Vibrations