Geometry & MOs

Info

ID:	206086
PubChem CID:	80200764
Reduced:	ClO2N3H8C12 (1)
Stoich.:	AB2C3D8E12 (1)
Weight, g/mol:	220.040341
ΔH_f, kcal/mol:	-0.4
Dipole, Da:	4.97
IP(EA), eV:	-9.51(-1.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-chloro-5-cyanophenyl)but-2-enamide

Drug info:

PubChemData

Smile

CC1=C(OC=N1)C(=O)NC2=C(C=CC(=C2)C#N)Cl

DOS

IR

Vibrations