Geometry & MOs

Info

ID:	369526
PubChem CID:	127334296
Reduced:	ON3C9H15 (2)
Stoich.:	AB3C9D15 (2)
Weight, g/mol:	352.189926
ΔH_f, kcal/mol:	-73.11
Dipole, Da:	7.69
IP(EA), eV:	-9.36(0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl-[3-[(6-methylpyridazin-3-yl)amino]phenyl]methanone

Drug info:

PubChemData

Smile

CCC(C)[C@@H](C(=O)NCC1=NN=C2N1CCCC2)NC(=O)N3CCCC3

DOS

IR

Vibrations