Geometry & MOs

Info

ID:	145970
PubChem CID:	53619231
Reduced:	Cl2O2N5H19C21 (1)
Stoich.:	A2B2C5D19E21 (1)
Weight, g/mol:	341.221561
ΔH_f, kcal/mol:	35.7
Dipole, Da:	5.07
IP(EA), eV:	-9.27(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-[methyl-(6-methylpyridazin-3-yl)amino]piperidin-1-yl]-3-pyrrol-1-ylbutan-1-one

Drug info:

PubChemData

Smile

C1CN(CCC12CC2C3=NC(=NO3)C4=CC(=CC=C4)Cl)C5=C(C=C(C=N5)C(=O)N)Cl

DOS

IR

Vibrations