Geometry & MOs

Info

ID:	306018
PubChem CID:	125000499
Reduced:	O3N5C16H17 (1)
Stoich.:	A3B5C16D17 (1)
Weight, g/mol:	313.153875
ΔH_f, kcal/mol:	-3.33
Dipole, Da:	5.12
IP(EA), eV:	-9.41(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(6R)-6-[(6-methylpyrimidin-4-yl)methyl]-1,4-oxazepan-4-yl]-pyridazin-3-ylmethanone

Drug info:

PubChemData

Smile

C1COC[C@@H](CN1C(=O)C2=CN=CO2)CC3=NN4C=CN=C4C=C3

DOS

IR

Vibrations