Geometry & MOs

Info

ID:	60471
PubChem CID:	26697054
Reduced:	SN3O6C20H29 (1)
Stoich.:	AB3C6D20E29 (1)
Weight, g/mol:	392.184841
ΔH_f, kcal/mol:	-207.96
Dipole, Da:	5.05
IP(EA), eV:	-8.95(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-benzyl-N-(2-morpholin-4-ylethyl)-4-oxophthalazine-1-carboxamide

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)/C=C/C(=O)NCCN2CCOCC2)S(=O)(=O)N3CCOCC3

DOS

IR

Vibrations