Geometry & MOs

Info

ID:	234872
PubChem CID:	92303636
Reduced:	NOC13H13 (2)
Stoich.:	ABC13D13 (2)
Weight, g/mol:	398.199428
ΔH_f, kcal/mol:	-10.32
Dipole, Da:	3.95
IP(EA), eV:	-8.36(0.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S)-3-(1H-indol-3-yl)-3-(4-methoxyphenyl)-N-[(1R)-1-phenylethyl]propanamide

Drug info:

PubChemData

Smile

C[C@@H](C1=CC=CC=C1)NC(=O)C[C@@H](C2=CC=C(C=C2)OC)C3=CNC4=CC=CC=C43

DOS

IR

Vibrations