Geometry & MOs

Info

ID:	371587
PubChem CID:	131269070
Reduced:	ClON2C12H13 (1)
Stoich.:	ABC2D12E13 (1)
Weight, g/mol:	359.91591
ΔH_f, kcal/mol:	14.58
Dipole, Da:	6.53
IP(EA), eV:	-9.64(-2.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(bromomethyl)-2-(3-bromopropyl)-4-(trifluoromethyl)benzene

Drug info:

PubChemData

Smile

CCCC(C1C(=O)N=C2C=CC=CC2=N1)Cl

DOS

IR

Vibrations