Geometry & MOs

Info

ID:	246300
PubChem CID:	103059104
Reduced:	ClO3N4H11C12 (1)
Stoich.:	AB3C4D11E12 (1)
Weight, g/mol:	280.036318
ΔH_f, kcal/mol:	20.57
Dipole, Da:	6.62
IP(EA), eV:	-9.1(-1.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[(2-chloro-5-nitrophenoxy)methyl]pyrazin-2-amine

Drug info:

PubChemData

Smile

CNC1=NC=C(N=C1)COC2=C(C=CC(=C2)[N+](=O)[O-])Cl

DOS

IR

Vibrations