Geometry & MOs

Info

ID:	415558
PubChem CID:	135088554
Reduced:	FN2O3C16H21 (1)
Stoich.:	AB2C3D16E21 (1)
Weight, g/mol:	306.169191
ΔH_f, kcal/mol:	-132.37
Dipole, Da:	6.34
IP(EA), eV:	-8.96(-0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-cyclopentylethyl)-7-hydroxy-4-oxo-5,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-2-carboxamide

Drug info:

PubChemData

Smile

CN1C[C@H]2CN([C@@H](C1)COC2)C(=O)C3=CC(=C(C=C3)OC)F

DOS

IR

Vibrations