Geometry & MOs

Info

ID:	413933
PubChem CID:	135086884
Reduced:	OSN2C15H18 (1)
Stoich.:	ABC2D15E18 (1)
Weight, g/mol:	470.199428
ΔH_f, kcal/mol:	-3.26
Dipole, Da:	3.31
IP(EA), eV:	-8.0(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-benzyl-3-[2-(4-methoxyphenyl)ethynyl]-N-(3-methylphenyl)indole-2-carboxamide

Drug info:

PubChemData

Smile

CN1C2=CC=CC=C2/C(=C(\N3CCCC3)/SC)/C1=O

DOS

IR

Vibrations