Geometry & MOs

Info

ID:	390902
PubChem CID:	135001512
Reduced:	O3H16C18 (1)
Stoich.:	A3B16C18 (1)
Weight, g/mol:	190.09938
ΔH_f, kcal/mol:	-62.46
Dipole, Da:	5.38
IP(EA), eV:	-9.55(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-[(E)-4-hydroxybut-1-enyl]phenyl]ethanone

Drug info:

PubChemData

Smile

CC(=O)OCC(=CC1=CC=C(C=C1)C=O)C2=CC=CC=C2

DOS

IR

Vibrations