Geometry & MOs

Info

ID:	444455
PubChem CID:	135262496
Reduced:	ClO2N3C18H24 (1)
Stoich.:	AB2C3D18E24 (1)
Weight, g/mol:	446.06036
ΔH_f, kcal/mol:	-63.7
Dipole, Da:	4.13
IP(EA), eV:	-8.67(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[1-(6-iodo-2-methylpyrimidin-4-yl)-5-methylindazol-6-yl]cyclohexan-1-one

Drug info:

PubChemData

Smile

CC1(CCN(CC1)C2=C(C=C3C=NN(C3=C2)C4CCCCO4)Cl)O

DOS

IR

Vibrations