Geometry & MOs

Info

ID:	309876
PubChem CID:	126563641
Reduced:	FN5H30C32 (1)
Stoich.:	AB5C30D32 (1)
Weight, g/mol:	337.142641
ΔH_f, kcal/mol:	149.43
Dipole, Da:	12.02
IP(EA), eV:	-8.22(-1.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[(2,4-dimethylphenyl)methoxy]-5-(4-nitrophenyl)-1,2-dihydropyrazine

Drug info:

PubChemData

Smile

C/C=C(\C=C(/C=C)\NC(=C)C(C)C)/C1=CC\2=C(C=C1)NN/C2=C\3/C=C4C(=N3)C=CN=C4C5=CC=CC=C5F

DOS

IR

Vibrations