Geometry & MOs

Info

ID:

379521

PubChem CID:

134439877

Reduced:

ON2H10C12 (2)

Stoich.:

AB2C10D12 (2)

Weight, g/mol:

559.171035

ΔHf, kcal/mol:

39.59

Dipole, Da:

3.98

IP(EA), eV:

 -8.79(-1.27)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

ethyl 2-[(5Z,7E,9Z)-9-amino-1-(cyclopropylmethyl)-3-[4-(trifluoromethyl)phenyl]-4H-pyrazolo[3,4-f][1,5]diazonin-7-yl]-4-chloro-5-methylpyrazole-3-carboxylate

Drug info:

PubChemData

Smile

CC1=NC(=CC=C1)C2=C(N3C4CCC(C4)C3=N2)C5=C6C=C(C=CC6=NC=C5)C(=O)O

DOS

IR

Vibrations