Geometry & MOs

Info

ID:	369216
PubChem CID:	127331528
Reduced:	O2N4C19H28 (1)
Stoich.:	A2B4C19D28 (1)
Weight, g/mol:	357.205242
ΔH_f, kcal/mol:	-60.44
Dipole, Da:	2.08
IP(EA), eV:	-9.31(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2-tert-butyloxan-3-yl)methyl]-2-(1-oxophthalazin-2-yl)acetamide

Drug info:

PubChemData

Smile

CC1=NN2C(=C(C=NC2=C1)C(=O)NCC3CCCOC3C(C)(C)C)C

DOS

IR

Vibrations