Geometry & MOs

Info

ID:	72534
PubChem CID:	48416278
Reduced:	NO5C22H25 (1)
Stoich.:	AB5C22D25 (1)
Weight, g/mol:	408.204907
ΔH_f, kcal/mol:	-178.0
Dipole, Da:	5.86
IP(EA), eV:	-8.97(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-[(4-ethoxyphenyl)methyl]-3-[[2-(2-methyl-1H-indol-3-yl)acetyl]amino]propanoate

Drug info:

PubChemData

Smile

CCOC1=CC=C(C=C1)CC(CNC(=O)C2=CC3=C(C=C2)OCC3)C(=O)OC

DOS

IR

Vibrations