Geometry & MOs

Info

ID:	417027
PubChem CID:	135091119
Reduced:	FOSN2C20H25 (1)
Stoich.:	ABCD2E20F25 (1)
Weight, g/mol:	332.184841
ΔH_f, kcal/mol:	-41.56
Dipole, Da:	2.6
IP(EA), eV:	-8.88(-0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CCN(C1)CC2=CSC(=C2)CN3CCOC(C3)C4=CC=C(C=C4)F

DOS

IR

Vibrations