Geometry & MOs

Info

ID:	271272
PubChem CID:	103652846
Reduced:	BrNSO2C11H14 (1)
Stoich.:	ABCD2E11F14 (1)
Weight, g/mol:	298.072035
ΔH_f, kcal/mol:	-32.95
Dipole, Da:	3.07
IP(EA), eV:	-9.6(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-chloro-N-[2-(cyclopropylmethoxy)ethyl]-2-nitrobenzamide

Drug info:

PubChemData

Smile

C1CC1COCCNC(=O)C2=CC=C(S2)Br

DOS

IR

Vibrations