Geometry & MOs

Info

ID:	81272
PubChem CID:	49854535
Reduced:	O4N6C21H22 (1)
Stoich.:	A4B6C21D22 (1)
Weight, g/mol:	422.170253
ΔH_f, kcal/mol:	-62.47
Dipole, Da:	5.48
IP(EA), eV:	-9.13(-2.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC1=NC=C(C=C1)[C@H](C2CCOCC2)NC(=O)C3=CN=C(NC3=O)C4=NN=CC=C4

DOS

IR

Vibrations