Geometry & MOs

Info

ID:	219453
PubChem CID:	85148691
Reduced:	NO2C16H17 (2)
Stoich.:	AB2C16D17 (2)
Weight, g/mol:	510.251858
ΔH_f, kcal/mol:	-99.81
Dipole, Da:	6.54
IP(EA), eV:	-8.25(-0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 4-[2-[3-[1-(1-phenylethyl)indol-5-yl]but-2-enoylamino]phenoxy]butanoate

Drug info:

PubChemData

Smile

CCOC(=O)CCCOC1=CC=CC=C1NC(=O)C=C(C)C2=CC3=C(C=C2)N(C=C3)CC4=CC=C(C=C4)C

DOS

IR

Vibrations