Geometry & MOs

Info

ID:	242667
PubChem CID:	97857804
Reduced:	N2O3H20C21 (1)
Stoich.:	A2B3C20D21 (1)
Weight, g/mol:	308.152478
ΔH_f, kcal/mol:	-49.21
Dipole, Da:	7.06
IP(EA), eV:	-9.17(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(1S)-2-hydroxy-1-phenylethyl]-3-(1H-indol-5-yl)propanamide

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)C(=O)N[C@@H](CO)C2=CC=CC=C2)C3=CC=CC=N3

DOS

IR

Vibrations