Geometry & MOs

Info

ID:	411346
PubChem CID:	135084169
Reduced:	ON2Cl3C11H13 (1)
Stoich.:	AB2C3D11E13 (1)
Weight, g/mol:	275.97615
ΔH_f, kcal/mol:	-52.7
Dipole, Da:	2.75
IP(EA), eV:	-10.11(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(1Z)-2-bromobuta-1,3-dienyl]-4-(trifluoromethyl)benzene

Drug info:

PubChemData

Smile

CC(C)(C)N(C1=NC(=CC(=C1)Cl)Cl)C(=O)CCl

DOS

IR

Vibrations