Geometry & MOs

Info

ID:	305442
PubChem CID:	124807263
Reduced:	FOSN2C18H19 (1)
Stoich.:	ABCD2E18F19 (1)
Weight, g/mol:	302.210661
ΔH_f, kcal/mol:	-36.32
Dipole, Da:	2.8
IP(EA), eV:	-8.98(-0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[[(7R)-5-cyclopentyl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-7-yl]methyl]pyrrolidin-2-one

Drug info:

PubChemData

Smile

C1[C@@H]2CN(C(=O)[C@@H]2CN1CC3=CSC=C3)CC4=CC(=CC=C4)F

DOS

IR

Vibrations