Geometry & MOs

Info

ID:	392570
PubChem CID:	135017226
Reduced:	PO5C17H17 (1)
Stoich.:	AB5C17D17 (1)
Weight, g/mol:	195.104799
ΔH_f, kcal/mol:	-223.22
Dipole, Da:	3.35
IP(EA), eV:	-9.17(-1.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-methyl-2-[(E)-pent-1-en-3-ynyl]indole

Drug info:

PubChemData

Smile

CCOP(=O)(C1=CC2=C(C3=CC=CC=C3C=C2)OC1=O)OCC

DOS

IR

Vibrations