Geometry & MOs

Info

ID:	378187
PubChem CID:	134224263
Reduced:	BrNO2C11H12 (1)
Stoich.:	ABC2D11E12 (1)
Weight, g/mol:	386.075738
ΔH_f, kcal/mol:	-46.43
Dipole, Da:	4.86
IP(EA), eV:	-9.58(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-[[[2-chloro-5-(trifluoromethyl)pyrimidin-4-yl]amino]methyl]phenyl]-N,N-dimethyl-2-oxoacetamide

Drug info:

PubChemData

Smile

CN(C)C(=O)C(=O)C1=CC=CC=C1CBr

DOS

IR

Vibrations