Geometry & MOs

Info

ID:	405682
PubChem CID:	135074996
Reduced:	O5H22C23 (1)
Stoich.:	A5B22C23 (1)
Weight, g/mol:	301.146664
ΔH_f, kcal/mol:	-105.43
Dipole, Da:	3.98
IP(EA), eV:	-8.76(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1-methylindol-3-yl)-[1-(2-phenylethynyl)cyclopropyl]methanol

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)OCC#CC2=CC=CC=C2)C3CC3(C(=O)OC)C(=O)OC

DOS

IR

Vibrations