Geometry & MOs

Info

ID:	43736
PubChem CID:	10321718
Reduced:	Cl2N3O3H17C23 (1)
Stoich.:	A2B3C3D17E23 (1)
Weight, g/mol:	453.064697
ΔH_f, kcal/mol:	-31.84
Dipole, Da:	8.62
IP(EA), eV:	-8.9(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[3-[4-[(3,5-dichloropyridin-4-yl)methyl]-7-methoxyphthalazin-1-yl]phenyl]acetic acid

Drug info:

PubChemData

Smile

CC1=CC=CC=C1CN2C=C(C3=C2C(=CC=C3)O)C(=O)C(=O)NC4=C(C=NC=C4Cl)Cl

DOS

IR

Vibrations