Geometry & MOs

Info

ID:

193509

PubChem CID:

78402177

Reduced:

O2N4C31H38 (1)

Stoich.:

A2B4C31D38 (1)

Weight, g/mol:

667.04449

ΔHf, kcal/mol:

11.39

Dipole, Da:

3.63

IP(EA), eV:

 -8.74(-1.04)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-(4-bromophenoxy)-5-nitrophenyl]-3-chloro-5-(4-methoxyphenyl)-7-(trifluoromethyl)-1,2,3,5,6,7-hexahydropyrazolo[1,5-a]pyrimidine-2-carboxamide

Drug info:

PubChemData

Smile

CC(C)(C)C1=CC(=CNNC(=O)C2CC(NN2)C3=CC=C(C=C3)C4=CC=CC=C4)C=C(C1=O)C(C)(C)C

DOS

IR

Vibrations