Geometry & MOs

Info

ID:	291871
PubChem CID:	113585114
Reduced:	BrSO2N3C11H18 (1)
Stoich.:	ABC2D3E11F18 (1)
Weight, g/mol:	271.108754
ΔH_f, kcal/mol:	-55.88
Dipole, Da:	7.5
IP(EA), eV:	-8.91(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-chloro-5-(2-cyclopropylpropylamino)-2-(2-hydroxyethyl)pyridazin-3-one

Drug info:

PubChemData

Smile

CC(CSC)NC1=C(C(=O)N(N=C1)CCOC)Br

DOS

IR

Vibrations