Geometry & MOs

Info

ID:	261221
PubChem CID:	103223137
Reduced:	O2N3C10H17 (1)
Stoich.:	A2B3C10D17 (1)
Weight, g/mol:	255.158292
ΔH_f, kcal/mol:	-57.97
Dipole, Da:	5.69
IP(EA), eV:	-9.32(-0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(3-aminopropoxy)-2-(3-hydroxy-3-methylbutyl)pyridazin-3-one

Drug info:

PubChemData

Smile

CCCN1C(=O)C=C(C=N1)OCCCN

DOS

IR

Vibrations