Geometry & MOs

Info

ID:	83756
PubChem CID:	49861037
Reduced:	ClN4O6C28H47 (1)
Stoich.:	AB4C6D28E47 (1)
Weight, g/mol:	251.093773
ΔH_f, kcal/mol:	-333.04
Dipole, Da:	5.03
IP(EA), eV:	-9.7(-0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(propan-2-ylideneamino)-6-pyrrol-1-ylpyridazin-3-amine;hydrochloride

Drug info:

PubChemData

Smile

CC(C)C[C@@H]([C@@H](C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)OC)O)N.Cl

DOS

IR

Vibrations