Geometry & MOs

Info

ID:	235238
PubChem CID:	92304264
Reduced:	N2O2C23H28 (1)
Stoich.:	A2B2C23D28 (1)
Weight, g/mol:	352.195092
ΔH_f, kcal/mol:	-46.05
Dipole, Da:	5.74
IP(EA), eV:	-8.45(-0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S)-3-(1-ethylindol-3-yl)-3-(3-fluorophenyl)-N-propylpropanamide

Drug info:

PubChemData

Smile

CCCCNC(=O)C[C@H](C1=CC=C(C=C1)OC)C2=CN(C3=CC=CC=C32)C

DOS

IR

Vibrations