Geometry & MOs

Info

ID:	434724
PubChem CID:	135175586
Reduced:	FNOC18H24 (1)
Stoich.:	ABCD18E24 (1)
Weight, g/mol:	149.084064
ΔH_f, kcal/mol:	-68.36
Dipole, Da:	2.04
IP(EA), eV:	-8.76(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(1Z)-buta-1,3-dienyl]-3-methyl-1,2-dihydropyrrol-5-one

Drug info:

PubChemData

Smile

CCC(C)/C=C(\C=C(/C)\CC)/C1=C(C=C(C=C1F)N)C=O

DOS

IR

Vibrations