Geometry & MOs

Info

ID:	249614
PubChem CID:	103090854
Reduced:	NOC11H13 (1)
Stoich.:	ABC11D13 (1)
Weight, g/mol:	210.085621
ΔH_f, kcal/mol:	-11.95
Dipole, Da:	3.54
IP(EA), eV:	-9.33(-0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-4-[4-(difluoromethyl)phenyl]-3-methylbut-3-en-2-one

Drug info:

PubChemData

Smile

CC1=CN=C(C=C1)/C=C(\C)/C(=O)C

DOS

IR

Vibrations