Geometry & MOs

Info

ID:	440208
PubChem CID:	135230118
Reduced:	NO2C15H27 (1)
Stoich.:	AB2C15D27 (1)
Weight, g/mol:	286.08097
ΔH_f, kcal/mol:	-141.34
Dipole, Da:	2.73
IP(EA), eV:	-10.37(0.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-methyl-7-(3-methylbutan-2-yldisulfanyl)-4-nitroazepine

Drug info:

PubChemData

Smile

CCCCCC(CCC)CC1CC(=O)N(C1=O)C

DOS

IR

Vibrations