Geometry & MOs

Info

ID:	261179
PubChem CID:	103221450
Reduced:	ClION3H13C14 (1)
Stoich.:	ABCD3E13F14 (1)
Weight, g/mol:	275.17461
ΔH_f, kcal/mol:	31.23
Dipole, Da:	2.7
IP(EA), eV:	-9.03(-1.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3-imidazol-1-ylpropyl)-5-(2-methylpropylamino)pyridazin-3-one

Drug info:

PubChemData

Smile

CN(C)C1=C(C=CC=N1)NC(=O)C2=CC(=C(C=C2)I)Cl

DOS

IR

Vibrations