Geometry & MOs

Info

ID:	369729
PubChem CID:	127335163
Reduced:	ON5C21H25 (1)
Stoich.:	AB5C21D25 (1)
Weight, g/mol:	395.19574
ΔH_f, kcal/mol:	14.45
Dipole, Da:	5.64
IP(EA), eV:	-8.5(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)-N-[1-(6-methylpyridazin-3-yl)piperidin-3-yl]acetamide

Drug info:

PubChemData

Smile

CC1=NN=C(C=C1)N2CCCC(C2)NC(=O)C3=CC4=C(C=C(C=C4N3)C)C

DOS

IR

Vibrations