Geometry & MOs

Info

ID:	383887
PubChem CID:	134975919
Reduced:	BrPN4C9H21 (1)
Stoich.:	ABC4D9E21 (1)
Weight, g/mol:	251.026855
ΔH_f, kcal/mol:	-44.61
Dipole, Da:	6.23
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.753254
Charge, e:	0

Chem-info

IUPAC name:

2-[(E)-1,2-dichloroethenyl]-2-phenylpent-4-enenitrile

Drug info:

PubChemData

Smile

CN1CC[N+]23P1(N(CC2)C)(N(CC3)C)Br

DOS

IR

Vibrations