Geometry & MOs

Info

ID:	369668
PubChem CID:	127334998
Reduced:	N3O4C19H23 (1)
Stoich.:	A3B4C19D23 (1)
Weight, g/mol:	365.231456
ΔH_f, kcal/mol:	-73.0
Dipole, Da:	5.0
IP(EA), eV:	-8.86(-0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)-3-[4-(oxolane-2-carbonyl)piperazin-1-yl]propan-1-one

Drug info:

PubChemData

Smile

C1CC2CC(CC1N2C(=O)CCC(=O)N3CC(=O)NC4=CC=CC=C43)O

DOS

IR

Vibrations