Geometry & MOs

Info

ID:	414085
PubChem CID:	135087039
Reduced:	ON5H11C13 (1)
Stoich.:	AB5C11D13 (1)
Weight, g/mol:	398.143056
ΔH_f, kcal/mol:	68.97
Dipole, Da:	5.72
IP(EA), eV:	-8.8(-1.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[2-(4-fluorophenyl)ethynyl]-N-(4-methoxyphenyl)-1-methylindole-2-carboxamide

Drug info:

PubChemData

Smile

CC(=O)NC1=CN=C(C=C1)N2C3=CC=CC=C3N=N2

DOS

IR

Vibrations