Geometry & MOs

Info

ID:	49154
PubChem CID:	11528768
Reduced:	O2N3C12H15 (1)
Stoich.:	A2B3C12D15 (1)
Weight, g/mol:	233.095297
ΔH_f, kcal/mol:	-20.21
Dipole, Da:	3.2
IP(EA), eV:	-8.32(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(Z)-1-cyano-2-(1-methylpyrrol-2-yl)ethenyl]benzonitrile

Drug info:

PubChemData

Smile

C[C@H](CN1C2=C(C=CC3=C2OCCO3)C=N1)N

DOS

IR

Vibrations