Geometry & MOs

Info

ID:	252921
PubChem CID:	103114954
Reduced:	Cl2N2O2C11H12 (1)
Stoich.:	A2B2C2D11E12 (1)
Weight, g/mol:	290.163043
ΔH_f, kcal/mol:	10.83
Dipole, Da:	6.21
IP(EA), eV:	-9.74(-1.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2-methyl-3-nitrophenyl)methyl]-5-oxaspiro[3.5]nonan-8-amine

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1[N+](=O)[O-])CNC/C(=C/Cl)/Cl

DOS

IR

Vibrations