Geometry & MOs

Info

ID:

297390

PubChem CID:

117616666

Reduced:

ClON6C24H27 (1)

Stoich.:

ABC6D24E27 (1)

Weight, g/mol:

457.112852

ΔHf, kcal/mol:

77.45

Dipole, Da:

13.07

IP(EA), eV:

 -8.7(-1.21)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[3-chloro-5-(trifluoromethyl)phenyl]methyl 2-(3-aminoazetidine-1-carbonyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate

Drug info:

PubChemData

Smile

C[C@@H](C1CC1)N[C@H]2CC[C@H]([C@@H](C2)C#N)N3C4=CC=NC(=O)C4=C(N3)NC5=CC=C(C=C5)Cl

DOS

IR

Vibrations