Geometry & MOs

Info

ID:	280385
PubChem CID:	103848825
Reduced:	BrN2O3C12H17 (1)
Stoich.:	AB2C3D12E17 (1)
Weight, g/mol:	280.105922
ΔH_f, kcal/mol:	-119.31
Dipole, Da:	1.94
IP(EA), eV:	-9.24(-0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(3-hydroxyoxolan-3-yl)methyl]-3-methyl-5-nitrobenzamide

Drug info:

PubChemData

Smile

CCN1C=C(C=C1C(=O)NCC2(CCOC2)O)Br

DOS

IR

Vibrations