Geometry & MOs

Info

ID:	318964
PubChem CID:	126653957
Reduced:	F2C21H28 (1)
Stoich.:	A2B21C28 (1)
Weight, g/mol:	424.17467
ΔH_f, kcal/mol:	-91.71
Dipole, Da:	3.13
IP(EA), eV:	-9.25(-0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-[5-[3-acetyl-1-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]indazol-5-yl]pyrimidin-2-yl]acetate

Drug info:

PubChemData

Smile

CC/C=C(\C=C/CC1CCC(CC1)CC)/C2=CC(=C(C=C2)F)F

DOS

IR

Vibrations