Geometry & MOs

Info

ID:	194299
PubChem CID:	78512326
Reduced:	N2O3C20H20 (1)
Stoich.:	A2B3C20D20 (1)
Weight, g/mol:	366.137971
ΔH_f, kcal/mol:	-76.07
Dipole, Da:	4.23
IP(EA), eV:	-8.56(-0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-[3-(4-fluorophenyl)prop-2-enoylamino]-3-(1H-indol-3-yl)propanoate

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)C(=O)NC(CC2=CNC3=CC=CC=C32)C(=O)OC

DOS

IR

Vibrations