Geometry & MOs

Info

ID:	220447
PubChem CID:	85195385
Reduced:	NOC13H29 (1)
Stoich.:	ABC13D29 (1)
Weight, g/mol:	216.099774
ΔH_f, kcal/mol:	-109.52
Dipole, Da:	1.82
IP(EA), eV:	-9.48(2.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

dimethyl 2-hydroxy-3-(2-methylprop-2-enyl)butanedioate

Drug info:

PubChemData

Smile

CCCCCCCCC(C(CCC)N)O

DOS

IR

Vibrations