Geometry & MOs

Info

ID:	161223
PubChem CID:	57391080
Reduced:	F4N5H11C17 (1)
Stoich.:	A4B5C11D17 (1)
Weight, g/mol:	621.224214
ΔH_f, kcal/mol:	-72.59
Dipole, Da:	2.67
IP(EA), eV:	-8.53(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-fluoro-5-(trifluoromethyl)phenyl]-3-[4-[[2-[3-(4-methylpiperazin-1-yl)propylamino]-3H-benzimidazol-5-yl]oxy]phenyl]urea;hydrochloride

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)CC2=NC(=C3N2C=CC=C3)C4=NNC(=N4)C(F)(F)F)F

DOS

IR

Vibrations