Geometry & MOs

Info

ID:	81271
PubChem CID:	49854533
Reduced:	ON5C17H17 (1)
Stoich.:	AB5C17D17 (1)
Weight, g/mol:	422.170253
ΔH_f, kcal/mol:	24.68
Dipole, Da:	8.83
IP(EA), eV:	-8.6(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(S)-(6-methoxypyridin-3-yl)-(oxan-4-yl)methyl]-6-oxo-2-pyridazin-3-yl-1H-pyrimidine-5-carboxamide

Drug info:

PubChemData

Smile

C1C(NCC2=C1C=CC(=C2)N)C3=NC4=C(C=CC=C4N3)C(=O)N

DOS

IR

Vibrations