Geometry & MOs

Info

ID:	157048
PubChem CID:	56413055
Reduced:	N3O4C29H35 (1)
Stoich.:	A3B4C29D35 (1)
Weight, g/mol:	412.247441
ΔH_f, kcal/mol:	-128.48
Dipole, Da:	6.32
IP(EA), eV:	-8.87(-1.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[4-[(2,6-dimethylmorpholin-4-yl)methyl]piperidine-1-carbonyl]-2-ethylphthalazin-1-one

Drug info:

PubChemData

Smile

CC1CN(CC(O1)C)CC2CCN(CC2)C(=O)C3=CC4=C(C=C3)C(=O)N(C4=O)CCC5=CC=CC=C5

DOS

IR

Vibrations