Geometry & MOs

Info

ID:	383828
PubChem CID:	134975782
Reduced:	OC12H16 (1)
Stoich.:	AB12C16 (1)
Weight, g/mol:	253.042505
ΔH_f, kcal/mol:	17.39
Dipole, Da:	5.42
IP(EA), eV:	-8.59(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-3,4-dichloro-2-phenyl-2-propan-2-ylbut-3-enenitrile

Drug info:

PubChemData

Smile

C[C@]12CCCC=CC1=CC(=O)CC2

DOS

IR

Vibrations