Geometry & MOs

Info

ID:

187484

PubChem CID:

77580086

Reduced:

N3O4C32H41 (1)

Stoich.:

A3B4C32D41 (1)

Weight, g/mol:

670.280109

ΔHf, kcal/mol:

-122.06

Dipole, Da:

6.05

IP(EA), eV:

 -8.53(-0.66)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[3-(3,4-dichlorophenyl)-1-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]-1-oxopropan-2-yl]-4-(2-oxo-4,5-dihydro-1H-1,3-benzodiazepin-3-yl)piperidine-1-carboxylic acid

Drug info:

PubChemData

Smile

CNCCN1CCCC1COC2CN3C4=C(C=CC(=C4)C(=O)O)C(=C3C5=CC=CC=C5OC2)C6CCCCC6

DOS

IR

Vibrations