Geometry & MOs

Info

ID:	163763
PubChem CID:	74374187
Reduced:	Cl2O3N4C28H34 (1)
Stoich.:	A2B3C4D28E34 (1)
Weight, g/mol:	530.185146
ΔH_f, kcal/mol:	-123.84
Dipole, Da:	5.22
IP(EA), eV:	-9.22(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-[2-[[4-[(4-chlorophenyl)methyl]-1-oxophthalazin-2-yl]methyl]pyrrolidin-1-yl]ethyl]oxolane-3-carboxamide;hydrochloride

Drug info:

PubChemData

Smile

C1CC(N(C1)CCNC(=O)C2CCCOC2)CN3C(=O)C4=CC=CC=C4C(=N3)CC5=CC=C(C=C5)Cl.Cl

DOS

IR

Vibrations