Geometry & MOs

Info

ID:	175042
PubChem CID:	75849929
Reduced:	O2N3C12H21 (2)
Stoich.:	A2B3C12D21 (2)
Weight, g/mol:	354.145381
ΔH_f, kcal/mol:	-235.58
Dipole, Da:	0.41
IP(EA), eV:	-9.13(0.16)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

N-[2-hydroxy-3-(3-methylphenoxy)propyl]-4-oxo-5H-pyrido[1,2-a]pyrimidin-5-ium-3-carboxamide

Drug info:

PubChemData

Smile

CC(C(=O)NC(=O)NC1CCCCC1)N2CCN(CC2)C(C)C(=O)NC(=O)NC3CCCCC3

DOS

IR

Vibrations