Geometry & MOs

Info

ID:	235273
PubChem CID:	92304322
Reduced:	BrN2O3H11C16 (1)
Stoich.:	AB2C3D11E16 (1)
Weight, g/mol:	414.210742
ΔH_f, kcal/mol:	-9.37
Dipole, Da:	5.69
IP(EA), eV:	-9.49(-1.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R)-3-(1-ethylindol-3-yl)-N-[(4-fluorophenyl)methyl]-3-(3-methylphenyl)propanamide

Drug info:

PubChemData

Smile

COC1=CC(=C(C=C1)C2=N/C(=C/C3=CN=CC=C3)/C(=O)O2)Br

DOS

IR

Vibrations