Geometry & MOs

Info

ID:	291819
PubChem CID:	113584888
Reduced:	BrO2N3C12H16 (1)
Stoich.:	AB2C3D12E16 (1)
Weight, g/mol:	269.093104
ΔH_f, kcal/mol:	-32.2
Dipole, Da:	4.31
IP(EA), eV:	-9.18(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-chloro-5-[(3-hydroxycyclobutyl)methylamino]-2-prop-2-enylpyridazin-3-one

Drug info:

PubChemData

Smile

C1CC1CN2C(=O)C(=C(C=N2)NC3CC(C3)O)Br

DOS

IR

Vibrations