Geometry & MOs

Info

ID:	213738
PubChem CID:	81064829
Reduced:	O3N4C14H24 (1)
Stoich.:	A3B4C14D24 (1)
Weight, g/mol:	295.189592
ΔH_f, kcal/mol:	-49.68
Dipole, Da:	8.59
IP(EA), eV:	-8.78(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-N-methyl-2-nitro-3-N-(2-propan-2-yloxyethyl)-1-N-propylbenzene-1,3-diamine

Drug info:

PubChemData

Smile

CCCNC1=NC(=C(C=C1)[N+](=O)[O-])N(C)CCOC(C)C

DOS

IR

Vibrations