Geometry & MOs

Info

ID:	229919
PubChem CID:	87569512
Reduced:	O2F7N8H19C24 (1)
Stoich.:	A2B7C8D19E24 (1)
Weight, g/mol:	370.30831
ΔH_f, kcal/mol:	-278.78
Dipole, Da:	5.38
IP(EA), eV:	-9.0(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-butan-2-yl-3-methylundecan-4-yl)-4-methylpentanedioic acid

Drug info:

PubChemData

Smile

C1CN(C[C@H]1[C@H](CC#N)N2C=C(C=N2)C3=C4C=CNC4=NC=N3)C5=NC=CC(=C5F)C(F)(F)F.C(=O)(C(F)(F)F)O

DOS

IR

Vibrations