Geometry & MOs

Info

ID:	210801
PubChem CID:	80857289
Reduced:	BrN6C13H15 (1)
Stoich.:	AB6C13D15 (1)
Weight, g/mol:	274.142976
ΔH_f, kcal/mol:	103.98
Dipole, Da:	6.54
IP(EA), eV:	-8.63(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(4,5-dimethylimidazol-1-yl)-2-nitro-N-propylaniline

Drug info:

PubChemData

Smile

CCNC1=CN2C=CN=C2C(=N1)N3C(=C(C(=N3)C)Br)C

DOS

IR

Vibrations