Geometry & MOs

Info

ID:	120875
PubChem CID:	50748261
Reduced:	FO3N5C25H30 (1)
Stoich.:	AB3C5D25E30 (1)
Weight, g/mol:	367.205991
ΔH_f, kcal/mol:	-78.86
Dipole, Da:	2.88
IP(EA), eV:	-8.87(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2,7-dimethyl-1H-indol-3-yl)-2-[4-(2-fluorophenyl)piperazin-1-yl]ethanol

Drug info:

PubChemData

Smile

CCCN1C(=CC=C(C1=O)C2=NOC(=N2)CCCC(=O)N3CCN(CC3)C4=CC=CC=C4F)C

DOS

IR

Vibrations