Geometry & MOs

Info

ID:	275702
PubChem CID:	103817171
Reduced:	ClN4O4C11H13 (1)
Stoich.:	AB4C4D11E13 (1)
Weight, g/mol:	289.09819
ΔH_f, kcal/mol:	-76.47
Dipole, Da:	5.38
IP(EA), eV:	-10.45(-2.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-chloro-N-ethyl-N-(2-phenylethyl)pyrazine-2-carboxamide

Drug info:

PubChemData

Smile

CC(C)(CNC(=O)C1=C(N=CC(=C1)[N+](=O)[O-])Cl)C(=O)N

DOS

IR

Vibrations