Geometry & MOs

Info

ID:	403886
PubChem CID:	135062368
Reduced:	NC8H9 (2)
Stoich.:	AB8C9 (2)
Weight, g/mol:	177.090006
ΔH_f, kcal/mol:	73.31
Dipole, Da:	2.5
IP(EA), eV:	-8.74(-0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-4-deuterio-4-(3-methoxyphenyl)but-3-en-2-one

Drug info:

PubChemData

Smile

CC1=CC(=NN1/C=C/C(=C)CC2=CC=CC=C2)C

DOS

IR

Vibrations