Geometry & MOs

Info

ID:

190505

PubChem CID:

78012954

Reduced:

N3O7C33H37 (1)

Stoich.:

A3B7C33D37 (1)

Weight, g/mol:

568.281633

ΔHf, kcal/mol:

-205.9

Dipole, Da:

4.66

IP(EA), eV:

 -8.9(-0.46)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[1-[2-amino-3-(4-methylphenyl)propanoyl]piperidin-4-yl]-4-(3,4-dimethoxyphenyl)-4a,5,6,7,8,8a-hexahydrophthalazin-1-one;hydrochloride

Drug info:

PubChemData

Smile

CC1CN(C(=O)CC2=C(C=CC(=C2)NC(=O)OCC3C4=CC=CC=C4C5=CC=CC=C35)OC1CN(C)C(=O)O)C(C)CO

DOS

IR

Vibrations