Geometry & MOs

Info

ID:	241085
PubChem CID:	93621597
Reduced:	N3O3C19H23 (1)
Stoich.:	A3B3C19D23 (1)
Weight, g/mol:	327.158292
ΔH_f, kcal/mol:	-88.31
Dipole, Da:	3.69
IP(EA), eV:	-9.18(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-[(4aR,8aS)-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl]-2-oxoethyl]phthalazin-1-one

Drug info:

PubChemData

Smile

CN1C(=O)C2=CC=CC=C2C(=N1)CC(=O)N3CCO[C@@H]4[C@@H]3CCCC4

DOS

IR

Vibrations