Geometry & MOs

Info

ID:	202335
PubChem CID:	79659379
Reduced:	ON4C13H22 (1)
Stoich.:	AB4C13D22 (1)
Weight, g/mol:	331.95905
ΔH_f, kcal/mol:	-26.35
Dipole, Da:	10.5
IP(EA), eV:	-8.9(0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-bromo-4-(1-chloro-2,2,3,3-tetrafluoropropyl)-2,5-dimethylbenzene

Drug info:

PubChemData

Smile

CCC1=C(NC(=NC1=O)C2CN(CCN2C)C)C

DOS

IR

Vibrations