Geometry & MOs

Info

ID:

175899

PubChem CID:

75966238

Reduced:

S6O8N13H47C49 (1)

Stoich.:

A6B8C13D47E49 (1)

Weight, g/mol:

363.194677

ΔHf, kcal/mol:

-96.32

Dipole, Da:

8.47

IP(EA), eV:

 -8.66(-1.77)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

4-[(3-methoxyphenyl)methyl]-2-[(1-methylpyrrolidin-2-yl)methyl]phthalazin-1-one

Drug info:

PubChemData

Smile

CC1=C2C(=O)NC(C3=NC(=C(S3)COC)C(=O)NCC(=O)NC(C4=NC(=CS4)C5=NC(=CS5)C6=C(C=CC(=N6)C7=NC(=CS7)N)C8=NC(=CS8)C(=O)NC(C(=N2)S1)CC(=O)NC)C(C9=CC=CC=C9)OC(=O)C)C(C)C

DOS

IR

Vibrations