Geometry & MOs

Info

ID:	418664
PubChem CID:	135106515
Reduced:	ON5C17H23 (1)
Stoich.:	AB5C17D23 (1)
Weight, g/mol:	386.175419
ΔH_f, kcal/mol:	16.46
Dipole, Da:	5.77
IP(EA), eV:	-9.3(-0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C=CN=C1)N2CCN(CC2)C(=O)CCCN3C=CN=C3

DOS

IR

Vibrations