Geometry & MOs

Info

ID:	24521
PubChem CID:	610729
Reduced:	ClN3C14H14 (1)
Stoich.:	AB3C14D14 (1)
Weight, g/mol:	259.087625
ΔH_f, kcal/mol:	79.05
Dipole, Da:	5.26
IP(EA), eV:	-8.84(-1.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[(5-chloro-3,4-dimethyl-1H-pyrrol-2-yl)methylidene]-3,4-dimethylpyrrole-2-carbonitrile

Drug info:

PubChemData

Smile

CC1=C(C(=NC1=CC2=C(C(=C(N2)Cl)C)C)C#N)C

DOS

IR

Vibrations