Geometry & MOs

Info

ID:	373485
PubChem CID:	131315995
Reduced:	BrNSF2O2H4C9 (1)
Stoich.:	ABCD2E2F4G9 (1)
Weight, g/mol:	205.110279
ΔH_f, kcal/mol:	-59.47
Dipole, Da:	5.4
IP(EA), eV:	-9.5(-1.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N,N-dimethyl-2-(4-methylphenyl)-3-oxopropanamide

Drug info:

PubChemData

Smile

C1=CSC2=C(C(=C(C=C21)C(F)F)[N+](=O)[O-])Br

DOS

IR

Vibrations