Geometry & MOs

Info

ID:	190333
PubChem CID:	77988042
Reduced:	ClON8C27H33 (1)
Stoich.:	ABC8D27E33 (1)
Weight, g/mol:	488.185983
ΔH_f, kcal/mol:	95.37
Dipole, Da:	10.72
IP(EA), eV:	-8.31(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N'-[2-fluoro-5-[(4-oxo-1H-phthalazin-1-yl)methyl]phenyl]-N-(4-methoxyphenyl)pentanediamide

Drug info:

PubChemData

Smile

CC1CN(CCN1C)C2=CC=C(C=C2)C3=NC4=NC=C(C(=C4N3)N5CCN(CC5)CC6=NOC(=C6)C)Cl

DOS

IR

Vibrations