Geometry & MOs

Info

ID:	169640
PubChem CID:	75130328
Reduced:	NO2C12H12 (2)
Stoich.:	AB2C12D12 (2)
Weight, g/mol:	380.173607
ΔH_f, kcal/mol:	-108.58
Dipole, Da:	3.27
IP(EA), eV:	-8.59(-0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C2=C(C=C1)C(=CO2)CC(=O)NC(CC3=CNC4=CC=CC=C43)C(=O)OC)C

DOS

IR

Vibrations