Geometry & MOs

Info

ID:

191377

PubChem CID:

78139705

Reduced:

N2O4C37H40 (1)

Stoich.:

A2B4C37D40 (1)

Weight, g/mol:

476.289974

ΔHf, kcal/mol:

-112.29

Dipole, Da:

1.75

IP(EA), eV:

 -8.66(-0.41)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[5-[2-(4-methylphenyl)propanoyl]-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrazol-3-yl]-4-(4-methylpiperazin-1-yl)benzamide

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)NC1CC1CC(CCC2=CC=CC3=CC=CC=C32)NC(=O)OCC4C5=CC=CC=C5C6=CC=CC=C46

DOS

IR

Vibrations