Geometry & MOs

Info

ID:	447142
PubChem CID:	135280643
Reduced:	NI2O4C10H15 (1)
Stoich.:	AB2C4D10E15 (1)
Weight, g/mol:	544.271737
ΔH_f, kcal/mol:	-57.86
Dipole, Da:	3.03
IP(EA), eV:	-9.63(-2.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-[[3-[[5-chloro-4-(6-methyl-1H-indol-3-yl)pyrimidin-2-yl]amino]-5-cyclopropylphenyl]methyl]piperazin-1-yl]-2-methylpropan-1-ol

Drug info:

PubChemData

Smile

C1C(O1)COCCCCCC2=NOC(O2)(I)I

DOS

IR

Vibrations