Geometry & MOs

Info

ID:	406872
PubChem CID:	135078816
Reduced:	NOC18H25 (1)
Stoich.:	ABC18D25 (1)
Weight, g/mol:	252.078644
ΔH_f, kcal/mol:	-42.0
Dipole, Da:	3.73
IP(EA), eV:	-9.42(-0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

phenyl (E)-4-oxo-4-phenylbut-2-enoate

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C(=O)NCC2(CCCCC2)CC=C

DOS

IR

Vibrations