Geometry & MOs

Info

ID:	217379
PubChem CID:	85087724
Reduced:	NO2C10H13 (2)
Stoich.:	AB2C10D13 (2)
Weight, g/mol:	358.135114
ΔH_f, kcal/mol:	-158.96
Dipole, Da:	3.88
IP(EA), eV:	-9.56(-0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(6-methoxypyridin-3-yl)-7-(4-methylphenyl)sulfonyl-7-azabicyclo[2.2.1]heptane

Drug info:

PubChemData

Smile

CC(CC(=O)CC#N)C(=O)NC(CC1=CC=CC=C1)C(=O)OC(C)(C)C

DOS

IR

Vibrations