Geometry & MOs

Info

ID:	27638
PubChem CID:	822751
Reduced:	O2H16C17 (1)
Stoich.:	A2B16C17 (1)
Weight, g/mol:	229.006119
ΔH_f, kcal/mol:	-47.56
Dipole, Da:	4.94
IP(EA), eV:	-9.15(-0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-N-(3,4-dichlorophenyl)but-2-enamide

Drug info:

PubChemData

Smile

CCC1=CC2=C(C=C1)OC(=O)C[C@H]2C3=CC=CC=C3

DOS

IR

Vibrations