Geometry & MOs

Info

ID:	397496
PubChem CID:	135030302
Reduced:	ClNO2H16C20 (1)
Stoich.:	ABC2D16E20 (1)
Weight, g/mol:	317.177964
ΔH_f, kcal/mol:	-18.91
Dipole, Da:	1.21
IP(EA), eV:	-9.14(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[1-(4-methoxyphenyl)hept-2-ynyl]-1H-indole

Drug info:

PubChemData

Smile

COC(=O)NC1=C(C=CC=C1C2=CC=C(C=C2)Cl)C3=CC=CC=C3

DOS

IR

Vibrations