Geometry & MOs

Info

ID:	163764
PubChem CID:	74374189
Reduced:	Cl2O3N4C27H32 (1)
Stoich.:	A2B3C4D27E32 (1)
Weight, g/mol:	542.221532
ΔH_f, kcal/mol:	-113.67
Dipole, Da:	6.57
IP(EA), eV:	-8.83(-1.22)
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]cyclohexanecarboxamide;hydrochloride

Drug info:

PubChemData

Smile

C1CC(N(C1)CCNC(=O)C2CCOC2)CN3C(=O)C4=CC=CC=C4C(=N3)CC5=CC=C(C=C5)Cl.Cl

DOS

IR

Vibrations