Geometry & MOs

Info

ID:	191022
PubChem CID:	78095083
Reduced:	ClF2N4O6C40H45 (1)
Stoich.:	AB2C4D6E40F45 (1)
Weight, g/mol:	389.21435
ΔH_f, kcal/mol:	-308.74
Dipole, Da:	6.13
IP(EA), eV:	-8.5(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(6,8-diphenyloct-5-en-7-yn-4-yl)-1-methylindole

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)NC(CC1=CC=C(C=C1)C2=CN=C(C=C2)N(C)C)C(CC(CC3=CC=CC=C3F)C(=O)NC4C(COC5=C4C=C(C=C5Cl)F)O)O

DOS

IR

Vibrations