Geometry & MOs

Info

ID:	201100
PubChem CID:	79489507
Reduced:	ClN3O4H10C12 (1)
Stoich.:	AB3C4D10E12 (1)
Weight, g/mol:	242.272199
ΔH_f, kcal/mol:	23.0
Dipole, Da:	6.15
IP(EA), eV:	-9.73(-1.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-methyl-1-N-(2-methylpropyl)-1-N-pentan-3-ylpentane-1,4-diamine

Drug info:

PubChemData

Smile

C1CC1C2=NC(=NO2)COC3=C(C=CC(=C3)[N+](=O)[O-])Cl

DOS

IR

Vibrations