Geometry & MOs

Info

ID:	144133
PubChem CID:	53318904
Reduced:	O3N4C20H20 (1)
Stoich.:	A3B4C20D20 (1)
Weight, g/mol:	364.153541
ΔH_f, kcal/mol:	-46.47
Dipole, Da:	8.82
IP(EA), eV:	-8.98(-1.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-oxo-1-[(4-pyrimidin-2-ylpiperidin-1-yl)methyl]quinolizine-3-carboxylic acid

Drug info:

PubChemData

Smile

C1CN(CCC1C2=NC=NC=C2)CC3=C4C=CC=CN4C(=O)C(=C3)C(=O)O

DOS

IR

Vibrations