Geometry & MOs

Info

ID:	275744
PubChem CID:	103817367
Reduced:	O2N3C9H13 (1)
Stoich.:	A2B3C9D13 (1)
Weight, g/mol:	259.072369
ΔH_f, kcal/mol:	-55.4
Dipole, Da:	3.51
IP(EA), eV:	-9.05(0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-chloro-N-(2-hydroxy-3-methoxypropyl)-N-methylpyrazine-2-carboxamide

Drug info:

PubChemData

Smile

CN1C=C(N=C1)C(=O)N2CC[C@@H](C2)O

DOS

IR

Vibrations