Geometry & MOs

Info

ID:	226250
PubChem CID:	87350228
Reduced:	BrOSN2H19C21 (1)
Stoich.:	ABCD2E19F21 (1)
Weight, g/mol:	445.215413
ΔH_f, kcal/mol:	42.16
Dipole, Da:	5.07
IP(EA), eV:	-8.88(-2.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[3-(1H-indol-5-yl)-5-methylphenyl]-N-[4-(2-methylpyridin-4-yl)phenyl]propanamide

Drug info:

PubChemData

Smile

CC1=NC=CC(=C1)C2=CC=C(C=C2)NC(=O)C(C)C3=CC=C(CC3=S)Br

DOS

IR

Vibrations