Geometry & MOs

Info

ID:	405205
PubChem CID:	135073035
Reduced:	NO5C21H27 (1)
Stoich.:	AB5C21D27 (1)
Weight, g/mol:	303.162314
ΔH_f, kcal/mol:	-196.21
Dipole, Da:	2.26
IP(EA), eV:	-8.27(0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(1-ethylindol-2-yl)-2-methyl-4-phenylbut-3-yn-1-ol

Drug info:

PubChemData

Smile

CCOC(=O)C(C/C=C\CO)(CC1=CNC2=C(C=CC=C12)C)C(=O)OCC

DOS

IR

Vibrations