Geometry & MOs

Info

ID:	291841
PubChem CID:	113585009
Reduced:	ClO2N3C12H18 (1)
Stoich.:	AB2C3D12E18 (1)
Weight, g/mol:	303.05824
ΔH_f, kcal/mol:	-47.89
Dipole, Da:	3.6
IP(EA), eV:	-9.14(-1.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-bromo-5-(4-hydroxybutan-2-ylamino)-2-propan-2-ylpyridazin-3-one

Drug info:

PubChemData

Smile

CC(CCO)NC1=C(C=NN(C1=O)CC2CC2)Cl

DOS

IR

Vibrations