Geometry & MOs

Info

ID:	297386
PubChem CID:	117616620
Reduced:	O3N4F6C23H26 (1)
Stoich.:	A3B4C6D23E26 (1)
Weight, g/mol:	407.16452
ΔH_f, kcal/mol:	-404.99
Dipole, Da:	3.41
IP(EA), eV:	-8.88(-1.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3-fluoro-5-phenylphenyl)methyl 2-acetyl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-5-carboxylate

Drug info:

PubChemData

Smile

CC(C1=NN2CCN(CC2=C1)C(=O)OCC3=CC(=CC(=C3)C(F)(F)F)C(F)(F)F)N4CCC(CC4)O

DOS

IR

Vibrations