Geometry & MOs

Info

ID:	362195
PubChem CID:	127307208
Reduced:	O2N3C13H17 (1)
Stoich.:	A2B3C13D17 (1)
Weight, g/mol:	318.157957
ΔH_f, kcal/mol:	22.91
Dipole, Da:	7.58
IP(EA), eV:	-8.96(-0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-3-hydroxy-8-azabicyclo[3.2.1]octane-8-carboxamide

Drug info:

PubChemData

Smile

C1CC2CC(CC1N2C(=O)NC3=CN=CC=C3)O

DOS

IR

Vibrations