Geometry & MOs

Info

ID:

187696

PubChem CID:

77611920

Reduced:

N2O5C39H44 (1)

Stoich.:

A2B5C39D44 (1)

Weight, g/mol:

581.126442

ΔHf, kcal/mol:

-141.43

Dipole, Da:

4.79

IP(EA), eV:

 -8.52(-0.41)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-(2H-benzotriazol-5-yl)piperidin-1-yl]-3-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-4-methyl-3,4-dihydropyrazole-5-carboxamide

Drug info:

PubChemData

Smile

COC(=O)C(CC1=CC=C(C=C1)OCCNC(=O)CCCCCCCC2=CC=CC=C2)NC3=CC=CC=C3C(=O)C4=CC=CC=C4

DOS

IR

Vibrations