Geometry & MOs

Info

ID:	276614
PubChem CID:	103824482
Reduced:	BrO2N3C12H16 (1)
Stoich.:	AB2C3D12E16 (1)
Weight, g/mol:	313.082934
ΔH_f, kcal/mol:	-75.97
Dipole, Da:	4.16
IP(EA), eV:	-9.77(-1.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-chloro-N-[2,2-dimethyl-3-(methylamino)-3-oxopropyl]-5-nitrobenzamide

Drug info:

PubChemData

Smile

CC(C)(CNC(=O)C1=C(N=CC=C1)Br)C(=O)NC

DOS

IR

Vibrations