Geometry & MOs

Info

ID:	144132
PubChem CID:	53318776
Reduced:	NO4C22H41 (1)
Stoich.:	AB4C22D41 (1)
Weight, g/mol:	364.153541
ΔH_f, kcal/mol:	-248.46
Dipole, Da:	6.79
IP(EA), eV:	-10.37(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-oxo-1-[(4-pyrimidin-4-ylpiperidin-1-yl)methyl]quinolizine-3-carboxylic acid

Drug info:

PubChemData

Smile

CCCCCCCCCCCCCCC(=O)C(=O)N[C@H](CC(C)C)C(=O)O

DOS

IR

Vibrations