Geometry & MOs

Info

ID:	413520
PubChem CID:	135086469
Reduced:	OC20H22 (1)
Stoich.:	AB20C22 (1)
Weight, g/mol:	195.045092
ΔH_f, kcal/mol:	12.51
Dipole, Da:	2.65
IP(EA), eV:	-9.14(0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-3-(4-chlorophenyl)but-2-enamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations