Geometry & MOs

Info

ID:	315217
PubChem CID:	126625071
Reduced:	NOC10H17 (1)
Stoich.:	ABC10D17 (1)
Weight, g/mol:	256.24023
ΔH_f, kcal/mol:	-50.85
Dipole, Da:	4.68
IP(EA), eV:	-9.42(-0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-3-hexyl-2-methylnonanoic acid

Drug info:

PubChemData

Smile

CC1C=CC(=O)N1CCC(C)C

DOS

IR

Vibrations