Geometry & MOs

Info

ID:

152862

PubChem CID:

56311941

Reduced:

N2O2C13H20 (2)

Stoich.:

A2B2C13D20 (2)

Weight, g/mol:

452.16306

ΔHf, kcal/mol:

-170.13

Dipole, Da:

3.77

IP(EA), eV:

 -8.52(-0.35)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

methyl 4-[3-methyl-4-[(8-methyl-7-oxo-5-thia-1,8,10,11-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,9,11-tetraen-12-yl)methyl]piperazin-1-yl]benzoate

Drug info:

PubChemData

Smile

CC1CN(CCN1CC(=O)NCC2(CCCCC2)N3CCOCC3)C4=CC=C(C=C4)C(=O)OC

DOS

IR

Vibrations