Geometry & MOs

Info

ID:	399464
PubChem CID:	135040429
Reduced:	ON2C14H14 (1)
Stoich.:	AB2C14D14 (1)
Weight, g/mol:	223.1361
ΔH_f, kcal/mol:	30.41
Dipole, Da:	4.58
IP(EA), eV:	-8.34(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-ethyl-2-[(Z)-hex-1-en-3-ynyl]indole

Drug info:

PubChemData

Smile

CCN1C2=C(C=CC1=O)C=C(C=C2)NCC#C

DOS

IR

Vibrations