Geometry & MOs

Info

ID:	205478
PubChem CID:	80109570
Reduced:	BrClN2O2H8C9 (1)
Stoich.:	ABC2D2E8F9 (1)
Weight, g/mol:	256.025084
ΔH_f, kcal/mol:	-31.91
Dipole, Da:	2.27
IP(EA), eV:	-10.19(-1.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-chloro-3-nitro-N-(oxetan-3-yl)benzamide

Drug info:

PubChemData

Smile

C1C(CO1)NC(=O)C2=C(N=CC(=C2)Br)Cl

DOS

IR

Vibrations