Geometry & MOs

Info

ID:	127132
PubChem CID:	50992005
Reduced:	FO2N6H27C33 (1)
Stoich.:	AB2C6D27E33 (1)
Weight, g/mol:	546.274324
ΔH_f, kcal/mol:	28.37
Dipole, Da:	6.42
IP(EA), eV:	-8.38(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-cyclohexyl-3-[3-[3-(4-methoxyphenyl)-1-[6-(methylamino)pyrimidin-4-yl]indol-6-yl]phenyl]urea

Drug info:

PubChemData

Smile

CNC1=CC(=NC=N1)N2C=C(C3=C2C=C(C=C3)C4=CC(=CC=C4)NC(=O)NC5=CC=CC=C5F)C6=CC=C(C=C6)OC

DOS

IR

Vibrations