Geometry & MOs

Info

ID:	210441
PubChem CID:	80808202
Reduced:	N4C17H30 (1)
Stoich.:	A4B17C30 (1)
Weight, g/mol:	278.083747
ΔH_f, kcal/mol:	-11.17
Dipole, Da:	2.69
IP(EA), eV:	-8.6(0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-N-ethyl-5-nitro-3-N-(1,3-thiazol-2-ylmethyl)benzene-1,3-diamine

Drug info:

PubChemData

Smile

CCCNC1=C(C(=NC=N1)N2CCC(CC2)(C)C)C(C)C

DOS

IR

Vibrations