Geometry & MOs

Info

ID:	72458
PubChem CID:	48416197
Reduced:	NO4C20H29 (1)
Stoich.:	AB4C20D29 (1)
Weight, g/mol:	394.189257
ΔH_f, kcal/mol:	-187.39
Dipole, Da:	4.54
IP(EA), eV:	-8.73(0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCOC1=CC=C(C=C1)CC(CNC(=O)C2CCCCC2)C(=O)OC

DOS

IR

Vibrations