Geometry & MOs

Info

ID:	399475
PubChem CID:	135040480
Reduced:	OC18H24 (1)
Stoich.:	AB18C24 (1)
Weight, g/mol:	237.15175
ΔH_f, kcal/mol:	-38.95
Dipole, Da:	4.07
IP(EA), eV:	-9.48(-0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)C2=C(CC(CC2)C(C)(C)C)C=O

DOS

IR

Vibrations