Geometry & MOs

Info

ID:	189386
PubChem CID:	77849030
Reduced:	O3N7C17H23 (1)
Stoich.:	A3B7C17D23 (1)
Weight, g/mol:	365.162708
ΔH_f, kcal/mol:	-64.08
Dipole, Da:	5.04
IP(EA), eV:	-8.84(-1.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1,3-benzodioxol-5-yl-[3-(4-methoxyphenyl)-8-azabicyclo[3.2.1]octan-8-yl]methanone

Drug info:

PubChemData

Smile

CC(C)OC1=NC(=NC(=C1)N2CCC(C(C2)O)NC(=O)C3=NC=CN=C3)N

DOS

IR

Vibrations