Geometry & MOs

Info

ID:	313564
PubChem CID:	126615904
Reduced:	O3F4N5H17C18 (1)
Stoich.:	A3B4C5D17E18 (1)
Weight, g/mol:	200.141244
ΔH_f, kcal/mol:	-263.61
Dipole, Da:	4.86
IP(EA), eV:	-9.53(-1.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (3R)-3-hydroxy-5-methyl-2-propan-2-ylhex-4-enoate

Drug info:

PubChemData

Smile

C1COCCC2=C1C(=CC(=N2)N3CC(OC(C3)(F)F)(F)F)C(=O)NC4=NN=CC=C4

DOS

IR

Vibrations