Geometry & MOs

Info

ID:	442032
PubChem CID:	135248172
Reduced:	INS2H14C22 (1)
Stoich.:	ABC2D14E22 (1)
Weight, g/mol:	301.157898
ΔH_f, kcal/mol:	131.98
Dipole, Da:	1.44
IP(EA), eV:	-8.12(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(N-(4-cyanocyclohexyl)anilino)benzonitrile

Drug info:

PubChemData

Smile

C1=CC(=CC(=C1)I)N(C2=CC3=C(C=C2)SC=C3)C4=CC5=C(C=C4)SC=C5

DOS

IR

Vibrations