Geometry & MOs

Info

ID:	53454
PubChem CID:	14716076
Reduced:	BClO2C17H28 (1)
Stoich.:	ABC2D17E28 (1)
Weight, g/mol:	141.078979
ΔH_f, kcal/mol:	-191.58
Dipole, Da:	3.7
IP(EA), eV:	-9.85(0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(propan-2-ylideneamino) (E)-but-2-enoate

Drug info:

PubChemData

Smile

B1(O[C@H]([C@@H](O1)C2CCCCC2)C3CCCCC3)[C@@H](C=C)Cl

DOS

IR

Vibrations