Geometry & MOs

Info

ID:	163762
PubChem CID:	74374183
Reduced:	FO2N4C26H31 (1)
Stoich.:	AB2C4D26E31 (1)
Weight, g/mol:	544.200796
ΔH_f, kcal/mol:	-65.35
Dipole, Da:	2.17
IP(EA), eV:	-8.72(-0.09)
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]oxane-3-carboxamide;hydrochloride

Drug info:

PubChemData

Smile

CC1=C2C(N(CCN2C(=N1)C)C(C3=CC=CC=C3)C(=O)NC)CCC4=CC(=C(C=C4)OC)F

DOS

IR

Vibrations