Geometry & MOs

Info

ID:	292011
PubChem CID:	114069544
Reduced:	BrOSN4C11H13 (1)
Stoich.:	ABCD4E11F13 (1)
Weight, g/mol:	282.07712
ΔH_f, kcal/mol:	21.39
Dipole, Da:	3.41
IP(EA), eV:	-8.98(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-chloro-N-[(2,2-dimethylcyclopropyl)methyl]-3-nitrobenzamide

Drug info:

PubChemData

Smile

CC(C1=C(C=C(C=C1)SC2=NNC(=O)N2C)Br)N

DOS

IR

Vibrations