Geometry & MOs

Info

ID:	172014
PubChem CID:	75454587
Reduced:	NO2C9H13 (2)
Stoich.:	AB2C9D13 (2)
Weight, g/mol:	333.205242
ΔH_f, kcal/mol:	-186.4
Dipole, Da:	3.02
IP(EA), eV:	-9.65(0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(3-ethoxy-2-nitrophenyl)-9-propan-2-yl-3,9-diazabicyclo[4.2.1]nonane

Drug info:

PubChemData

Smile

CC(C)C[C@@H](C(=O)OC)NC(=O)CC(C1=CC=CC=C1)NC(=O)C

DOS

IR

Vibrations