Geometry & MOs

Info

ID:	162668
PubChem CID:	57551368
Reduced:	FOSN2H19C21 (1)
Stoich.:	ABCD2E19F21 (1)
Weight, g/mol:	430.180504
ΔH_f, kcal/mol:	-30.11
Dipole, Da:	3.8
IP(EA), eV:	-8.29(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-(3-carbamoylphenyl)-N-[2-(7-fluoro-2,4-dimethyl-1H-indol-3-yl)ethyl]pyridine-3-carboxamide

Drug info:

PubChemData

Smile

CC1=C2C(=C(NC2=C(C=C1)F)C)CCNC(=O)C3=CC4=C(C=C3)SC=C4

DOS

IR

Vibrations