Geometry & MOs

Info

ID:	191435
PubChem CID:	78146198
Reduced:	BrNO2H4C6F6 (1)
Stoich.:	ABC2D4E6F6 (1)
Weight, g/mol:	412.98097
ΔH_f, kcal/mol:	-343.14
Dipole, Da:	3.27
IP(EA), eV:	-11.25(-2.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-bromo-N-(1,3-dimethyl-2,6-dioxo-1,3-diazinan-4-yl)-3,3,3-trifluoro-2-(trifluoromethyl)propanamide

Drug info:

PubChemData

Smile

CC=NOC(=O)C(C(F)(F)F)(C(F)(F)F)Br

DOS

IR

Vibrations