Geometry & MOs

Info

ID:	280475
PubChem CID:	103849453
Reduced:	BrNO3C15H18 (1)
Stoich.:	ABC3D15E18 (1)
Weight, g/mol:	313.03136
ΔH_f, kcal/mol:	-98.34
Dipole, Da:	1.86
IP(EA), eV:	-9.7(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-bromo-N-[(3-hydroxyoxolan-3-yl)methyl]-4-methylbenzamide

Drug info:

PubChemData

Smile

C1CC1(C2=CC=C(C=C2)Br)C(=O)NCC3(CCOC3)O

DOS

IR

Vibrations