Geometry & MOs

Info

ID:	241084
PubChem CID:	93621593
Reduced:	NO4C19H25 (1)
Stoich.:	AB4C19D25 (1)
Weight, g/mol:	341.173942
ΔH_f, kcal/mol:	-133.34
Dipole, Da:	6.71
IP(EA), eV:	-8.64(-0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC1=CC=CC(=C1OC)/C=C/C(=O)N2CCO[C@@H]3[C@@H]2CCCC3

DOS

IR

Vibrations