Geometry & MOs

Info

ID:	200806
PubChem CID:	79446875
Reduced:	FBr2Cl2H13C16 (1)
Stoich.:	AB2C2D13E16 (1)
Weight, g/mol:	203.131014
ΔH_f, kcal/mol:	-24.41
Dipole, Da:	2.14
IP(EA), eV:	-9.39(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3-methoxyphenyl)-3-methylpentanenitrile

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)C(CC2=C(C=CC(=C2)Cl)Cl)(CBr)CBr)F

DOS

IR

Vibrations