Geometry & MOs

Info

ID:	362785
PubChem CID:	127309333
Reduced:	O2N5C19H23 (1)
Stoich.:	A2B5C19D23 (1)
Weight, g/mol:	392.209993
ΔH_f, kcal/mol:	3.45
Dipole, Da:	9.34
IP(EA), eV:	-9.5(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[4-(3,4-dihydro-2H-chromen-6-yl)phenyl]methyl]-3-hydroxy-8-azabicyclo[3.2.1]octane-8-carboxamide

Drug info:

PubChemData

Smile

C1CC(C2=CC=CC=C2OC1)NC(=O)N3CCN4C(=NN=C4C5CC5)C3

DOS

IR

Vibrations