Geometry & MOs

Info

ID:	407770
PubChem CID:	135080525
Reduced:	BO4C13H25 (1)
Stoich.:	AB4C13D25 (1)
Weight, g/mol:	183.125929
ΔH_f, kcal/mol:	-293.42
Dipole, Da:	3.88
IP(EA), eV:	-10.26(1.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,2-dimethyl-N-[(E)-4-oxopent-2-enyl]propanamide

Drug info:

PubChemData

Smile

B1(OC(C(O1)(C)C)(C)C)[C@@H](C)[C@H](C)C(=O)OCC

DOS

IR

Vibrations