Geometry & MOs

Info

ID:	12073
PubChem CID:	129702
Reduced:	ClO4N8C14H15 (1)
Stoich.:	AB4C8D14E15 (1)
Weight, g/mol:	394.090479
ΔH_f, kcal/mol:	-14.59
Dipole, Da:	6.82
IP(EA), eV:	-9.06(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3,5-diamino-6-chloro-N-[N'-[(2-methoxy-5-nitrophenyl)methyl]carbamimidoyl]pyrazine-2-carboxamide

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)[N+](=O)[O-])CN=C(N)NC(=O)C2=C(N=C(C(=N2)Cl)N)N

DOS

IR

Vibrations