Geometry & MOs

Info

ID:	5100
PubChem CID:	12587
Reduced:	OC3H6 (2)
Stoich.:	AB3C6 (2)
Weight, g/mol:	116.08373
ΔH_f, kcal/mol:	-114.63
Dipole, Da:	4.8
IP(EA), eV:	-11.03(0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-methylpentanoic acid

Drug info:

PubChemData

Smile

CC(C)CCC(=O)O

DOS

IR

Vibrations