Geometry & MOs

Info

ID:	76127
PubChem CID:	48424478
Reduced:	N3O3C22H27 (1)
Stoich.:	A3B3C22D27 (1)
Weight, g/mol:	223.157229
ΔH_f, kcal/mol:	-96.16
Dipole, Da:	3.51
IP(EA), eV:	-7.94(0.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2-azabicyclo[2.2.1]heptan-2-yl)-2-(cyclopropylmethoxy)propan-1-one

Drug info:

PubChemData

Smile

CN1CCC(C2=CC=CC=C21)CNC(=O)C(CC3=CC=CC=C3)NC(=O)OC

DOS

IR

Vibrations