Geometry & MOs

Info

ID:	169662
PubChem CID:	75133739
Reduced:	O3N4C17H23 (1)
Stoich.:	A3B4C17D23 (1)
Weight, g/mol:	331.177016
ΔH_f, kcal/mol:	-99.1
Dipole, Da:	5.15
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.978424
Charge, e:	1

Chem-info

IUPAC name:

6-(3-ethylpiperidine-1-carbonyl)-1,3-dimethyl-4aH-pyrido[2,3-d]pyrimidin-1-ium-2,4-dione

Drug info:

PubChemData

Smile

CCC1CCCN(C1)C(=O)C2=NC3=[N+](C(=O)N(C(=O)C3C=C2)C)C

DOS

IR

Vibrations