Geometry & MOs

Info

ID:	282937
PubChem CID:	103946372
Reduced:	Cl2N2O2H14C15 (1)
Stoich.:	A2B2C2D14E15 (1)
Weight, g/mol:	236.069811
ΔH_f, kcal/mol:	-60.23
Dipole, Da:	2.41
IP(EA), eV:	-8.96(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4Z)-4-(3-phenyl-2H-1,2,4-oxadiazol-5-ylidene)pyrrole-2-carbonitrile

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)[C@@H](CO)NC(=O)C2=CC(=C(C(=C2)Cl)N)Cl

DOS

IR

Vibrations