Geometry & MOs

Info

ID:	72424
PubChem CID:	48416162
Reduced:	NO6C22H27 (1)
Stoich.:	AB6C22D27 (1)
Weight, g/mol:	335.209658
ΔH_f, kcal/mol:	-215.57
Dipole, Da:	4.87
IP(EA), eV:	-8.54(-0.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-[(3,3-dimethylbutanoylamino)methyl]-3-(4-ethoxyphenyl)propanoate

Drug info:

PubChemData

Smile

CCOC1=CC=C(C=C1)CC(CNC(=O)COC2=CC=C(C=C2)OC)C(=O)OC

DOS

IR

Vibrations