Geometry & MOs

Info

ID:	23512
PubChem CID:	604291
Reduced:	ON3C14H17 (1)
Stoich.:	AB3C14D17 (1)
Weight, g/mol:	243.137162
ΔH_f, kcal/mol:	-1.69
Dipole, Da:	1.46
IP(EA), eV:	-8.98(-0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-methyl-7-pyridin-2-yl-1,3-diazatricyclo[3.3.1.13,7]decan-6-one

Drug info:

PubChemData

Smile

CC12CN3CC(C1=O)(CN(C2)C3)C4=CC=CC=N4

DOS

IR

Vibrations