Geometry & MOs

Info

ID:	210448
PubChem CID:	80809019
Reduced:	O3N5C12H19 (1)
Stoich.:	A3B5C12D19 (1)
Weight, g/mol:	251.126991
ΔH_f, kcal/mol:	-0.17
Dipole, Da:	3.44
IP(EA), eV:	-9.27(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-N-cyclopropyl-3-N-(2-methoxyethyl)-5-nitrobenzene-1,3-diamine

Drug info:

PubChemData

Smile

CCNC1=C(C(=NC=N1)N(CCOC)C2CC2)[N+](=O)[O-]

DOS

IR

Vibrations