Geometry & MOs

Info

ID:	246299
PubChem CID:	103059101
Reduced:	ClO3N4C13H13 (1)
Stoich.:	AB3C4D13E13 (1)
Weight, g/mol:	294.051968
ΔH_f, kcal/mol:	13.07
Dipole, Da:	7.06
IP(EA), eV:	-8.94(-1.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[(2-chloro-5-nitrophenoxy)methyl]-N-methylpyrazin-2-amine

Drug info:

PubChemData

Smile

CCNC1=NC=C(N=C1)COC2=C(C=CC(=C2)[N+](=O)[O-])Cl

DOS

IR

Vibrations