Geometry & MOs

Info

ID:	428142
PubChem CID:	135166256
Reduced:	O2N3C19H21 (1)
Stoich.:	A2B3C19D21 (1)
Weight, g/mol:	228.20893
ΔH_f, kcal/mol:	-12.4
Dipole, Da:	3.71
IP(EA), eV:	-9.02(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-ethyl-4-methyl-2-pentan-3-ylhexanoic acid

Drug info:

PubChemData

Smile

CCN1C2=C(C(=C(C=C2)CCC(=O)OCC3=CC=CC=C3)C)N=N1

DOS

IR

Vibrations