Geometry & MOs

Info

ID:	131142
PubChem CID:	51162102
Reduced:	BrN2O2H13C14 (1)
Stoich.:	AB2C2D13E14 (1)
Weight, g/mol:	280.153541
ΔH_f, kcal/mol:	-24.88
Dipole, Da:	4.54
IP(EA), eV:	-9.31(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-methyl-N-(3-morpholin-4-ylpropyl)-6-oxopyridazine-3-carboxamide

Drug info:

PubChemData

Smile

CC(C(=O)NC1=CN=CC=C1)OC2=CC=C(C=C2)Br

DOS

IR

Vibrations