Geometry & MOs

Info

ID:	161793
PubChem CID:	57392698
Reduced:	OCl2N3H19C23 (1)
Stoich.:	AB2C3D19E23 (1)
Weight, g/mol:	361.068159
ΔH_f, kcal/mol:	28.29
Dipole, Da:	1.22
IP(EA), eV:	-9.04(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-amino-6-chloro-N-(diaminomethylidene)-5-[2-(2H-tetrazol-5-yl)ethylamino]pyrazine-2-carboxamide;hydrochloride

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=CC=C(C=C2)CCC(=O)NCC3=NC4=CC(=C(C=C4N3)Cl)Cl

DOS

IR

Vibrations