Geometry & MOs

Info

ID:	346920
PubChem CID:	127271424
Reduced:	FO2N4H21C22 (1)
Stoich.:	AB2C4D21E22 (1)
Weight, g/mol:	385.143784
ΔH_f, kcal/mol:	-18.39
Dipole, Da:	2.25
IP(EA), eV:	-8.56(-1.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(1-acetyl-2,3-dihydroindol-5-yl)-3-[(6-fluoro-4H-1,3-benzodioxin-8-yl)methyl]urea

Drug info:

PubChemData

Smile

C1CC(CN(C1)C(=O)N2CCC3=CC=CC=C32)C4=NC(=NO4)C5=CC=C(C=C5)F

DOS

IR

Vibrations