Geometry & MOs

Info

ID:	227371
PubChem CID:	87561556
Reduced:	N2O5C14H18 (1)
Stoich.:	A2B5C14D18 (1)
Weight, g/mol:	413.158685
ΔH_f, kcal/mol:	-117.91
Dipole, Da:	1.98
IP(EA), eV:	-10.08(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2-nitrophenyl)methyl N-cyclohexyl-N-[(2-nitrophenyl)methyl]carbamate

Drug info:

PubChemData

Smile

COCOCC1CC(CNC1=O)(C2=CC=CC=C2)[N+](=O)[O-]

DOS

IR

Vibrations