Geometry & MOs

Info

ID:	12839
PubChem CID:	146521
Reduced:	ClON7C18H30 (1)
Stoich.:	ABC7D18E30 (1)
Weight, g/mol:	395.220036
ΔH_f, kcal/mol:	-27.96
Dipole, Da:	1.71
IP(EA), eV:	-8.3(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-amino-5-(azacyclotridec-1-yl)-6-chloro-N-(diaminomethylidene)pyrazine-2-carboxamide

Drug info:

PubChemData

Smile

C1CCCCCCN(CCCCC1)C2=NC(=C(N=C2Cl)C(=O)N=C(N)N)N

DOS

IR

Vibrations