Geometry & MOs

Info

ID:	263780
PubChem CID:	103397324
Reduced:	FNOSC17H20 (1)
Stoich.:	ABCDE17F20 (1)
Weight, g/mol:	323.140055
ΔH_f, kcal/mol:	-51.34
Dipole, Da:	2.56
IP(EA), eV:	-8.7(-0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 6-[(4-chlorophenyl)methylamino]-3,5-dihydro-2H-pyrazine-4-carboxylate

Drug info:

PubChemData

Smile

CNC(C1CCCC2=C1C=CS2)C3=C(C=C(C=C3)OC)F

DOS

IR

Vibrations