Geometry & MOs

Info

ID:	54774
PubChem CID:	17389247
Reduced:	SN2C25H26 (1)
Stoich.:	AB2C25D26 (1)
Weight, g/mol:	472.07864
ΔH_f, kcal/mol:	77.24
Dipole, Da:	5.58
IP(EA), eV:	-8.94(-1.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[3-(4-bromophenyl)-1-[2-[(2-methylphenyl)methoxy]phenyl]-3-oxopropyl]propanedinitrile

Drug info:

PubChemData

Smile

CCCCCCSC1=C(C(=CC(=N1)C2=CC=C(C=C2)C)C3=CC=CC=C3)C#N

DOS

IR

Vibrations