Geometry & MOs

Info

ID:	260267
PubChem CID:	103187188
Reduced:	ClO2N3C10H14 (1)
Stoich.:	AB2C3D10E14 (1)
Weight, g/mol:	277.061804
ΔH_f, kcal/mol:	-45.12
Dipole, Da:	5.47
IP(EA), eV:	-9.66(-1.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-chloro-N-[1-(3-hydroxyphenyl)ethyl]pyrazine-2-carboxamide

Drug info:

PubChemData

Smile

CN(CCCOC)C(=O)C1=CN=CC(=N1)Cl

DOS

IR

Vibrations