Geometry & MOs

Info

ID:	415264
PubChem CID:	135088256
Reduced:	NO5C17H19 (1)
Stoich.:	AB5C17D19 (1)
Weight, g/mol:	288.195011
ΔH_f, kcal/mol:	-182.4
Dipole, Da:	6.15
IP(EA), eV:	-9.61(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5,6-dimethyl-2-[(1S,6R)-3-methyl-3,9-diazabicyclo[4.2.1]nonan-9-yl]pyridine-3-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)CC(=O)N2C[C@]3(C[C@]3(C2)C(=O)O)C(=O)O)C

DOS

IR

Vibrations