Geometry & MOs

Info

ID:	292521
PubChem CID:	115354142
Reduced:	BrClN4H8C15 (1)
Stoich.:	ABC4D8E15 (1)
Weight, g/mol:	332.99199
ΔH_f, kcal/mol:	130.66
Dipole, Da:	3.71
IP(EA), eV:	-9.4(-1.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2Z)-2-[(6-bromonaphthalen-2-yl)-chloromethylidene]pentanenitrile

Drug info:

PubChemData

Smile

C1=CC2=C(C=CC(=C2)Br)C=C1C3=NN=C4N3C(=CN=C4)Cl

DOS

IR

Vibrations