Geometry & MOs

Info

ID:	150520
PubChem CID:	53790213
Reduced:	NO4C19H25 (1)
Stoich.:	AB4C19D25 (1)
Weight, g/mol:	177.078979
ΔH_f, kcal/mol:	-180.84
Dipole, Da:	6.57
IP(EA), eV:	-9.01(-1.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

phenyl 3-iminobutanoate

Drug info:

PubChemData

Smile

CCCCCCN1C2=C(C=C(C=C2)C)C(=O)C(=C(O)OCC)C1=O

DOS

IR

Vibrations