Geometry & MOs

Info

ID:	180633
PubChem CID:	76663006
Reduced:	PdN7H23C30 (1)
Stoich.:	AB7C23D30 (1)
Weight, g/mol:	414.226705
ΔH_f, kcal/mol:	493.89
Dipole, Da:	22.06
IP(EA), eV:	-6.94(-4.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[3-(hydroxymethyl)morpholin-4-yl]-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)-1,3-benzoxazole-4-carboxamide

Drug info:

PubChemData

Smile

CC(C)(C1=NC(=CC=C1)N2[C-]=CC(=N2)C3=CC=CC=C3)C4=NC(=NC=C4)N5[C-]=CC(=N5)C6=CC=CC=C6.[Pd+2]

DOS

IR

Vibrations