Geometry & MOs

Info

ID:	262087
PubChem CID:	103269361
Reduced:	O2N3C7H17 (1)
Stoich.:	A2B3C7D17 (1)
Weight, g/mol:	340.98336
ΔH_f, kcal/mol:	-98.51
Dipole, Da:	3.18
IP(EA), eV:	-9.67(1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-bromo-5-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-4-nitroaniline

Drug info:

PubChemData

Smile

CC(CNCC(C(=O)N)N)OC

DOS

IR

Vibrations