Geometry & MOs

Info

ID:	198929
PubChem CID:	79174389
Reduced:	N2O3C16H20 (1)
Stoich.:	A2B3C16D20 (1)
Weight, g/mol:	224.188863
ΔH_f, kcal/mol:	-90.85
Dipole, Da:	5.04
IP(EA), eV:	-8.85(-1.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)pentan-2-one

Drug info:

PubChemData

Smile

CC1=C2C(=C(C=C1)C)N(C(=O)C2=O)CC3CN(CCO3)C

DOS

IR

Vibrations