Geometry & MOs

Info

ID:	270105
PubChem CID:	103628357
Reduced:	BrN2O2C15H21 (1)
Stoich.:	AB2C2D15E21 (1)
Weight, g/mol:	307.062677
ΔH_f, kcal/mol:	-76.27
Dipole, Da:	4.92
IP(EA), eV:	-9.1(-0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-hydroxy-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-4-nitrobenzamide

Drug info:

PubChemData

Smile

CC(=O)N1CCC(CC1)NCC2=C(C=CC(=C2)OC)Br

DOS

IR

Vibrations