Geometry & MOs

Info

ID:	9700
PubChem CID:	92490
Reduced:	O2N3C21H43 (1)
Stoich.:	A2B3C21D43 (1)
Weight, g/mol:	369.335528
ΔH_f, kcal/mol:	-73.83
Dipole, Da:	4.98
IP(EA), eV:	-8.86(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1,3-bis(2-ethylhexyl)-5-methyl-5-nitro-1,3-diazinane

Drug info:

PubChemData

Smile

CCCCC(CC)CN1CC(CN(C1)CC(CC)CCCC)(C)[N+](=O)[O-]

DOS

IR

Vibrations