Geometry & MOs

Info

ID:	134443
PubChem CID:	51696393
Reduced:	O10C23H24 (1)
Stoich.:	A10B23C24 (1)
Weight, g/mol:	425.259089
ΔH_f, kcal/mol:	-357.39
Dipole, Da:	7.65
IP(EA), eV:	-9.09(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(4-fluorophenyl)methyl]-3-[(2S)-2-(1-methyl-2,3-dihydroindol-5-yl)-2-(4-methylpiperazin-1-yl)ethyl]urea

Drug info:

PubChemData

Smile

COC1=CC2=C(C(=C1)OC)C(=O)C(=CO2)C3=CC=C(C=C3)O[C@H]4[C@H]([C@@H]([C@@H]([C@@H](O4)CO)O)O)O

DOS

IR

Vibrations