Geometry & MOs

Info

ID:	326582
PubChem CID:	126687825
Reduced:	ON2C12H24 (1)
Stoich.:	AB2C12D24 (1)
Weight, g/mol:	183.089543
ΔH_f, kcal/mol:	-85.45
Dipole, Da:	4.49
IP(EA), eV:	-8.9(1.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[methyl(prop-2-enyl)carbamoyl]but-3-enoic acid

Drug info:

PubChemData

Smile

CCCCC(C)(C)N1CCCC1C(=O)N

DOS

IR

Vibrations