Geometry & MOs

Info

ID:	72457
PubChem CID:	48416196
Reduced:	NO4C22H27 (1)
Stoich.:	AB4C22D27 (1)
Weight, g/mol:	347.209658
ΔH_f, kcal/mol:	-148.94
Dipole, Da:	4.78
IP(EA), eV:	-8.95(-0.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-[(cyclohexanecarbonylamino)methyl]-3-(4-ethoxyphenyl)propanoate

Drug info:

PubChemData

Smile

CCOC1=CC=C(C=C1)CC(CNC(=O)CCC2=CC=CC=C2)C(=O)OC

DOS

IR

Vibrations