Geometry & MOs

Info

ID:	405664
PubChem CID:	135074877
Reduced:	O2N3C21H27 (1)
Stoich.:	A2B3C21D27 (1)
Weight, g/mol:	319.137242
ΔH_f, kcal/mol:	35.02
Dipole, Da:	3.12
IP(EA), eV:	-8.97(-0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)COCCC=C/C=C/CCCC(=O)/C=C/CCN=[N+]=[N-]

DOS

IR

Vibrations