Geometry & MOs

Info

ID:	84718
PubChem CID:	49869419
Reduced:	ON7H11C14 (1)
Stoich.:	AB7C11D14 (1)
Weight, g/mol:	324.195011
ΔH_f, kcal/mol:	155.61
Dipole, Da:	2.78
IP(EA), eV:	-8.8(-2.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[5-(1,4-diazatricyclo[4.3.1.13,8]undecan-4-yl)pyridin-3-yl]-3,5-dimethyl-1,2-oxazole

Drug info:

PubChemData

Smile

CN1C(=O)N2C=N/C(=C\3/N=CC(=N3)C4=CC=CC=C4)/C2=NN1

DOS

IR

Vibrations