Geometry & MOs

Info

ID:	415230
PubChem CID:	135088222
Reduced:	OSN4C15H16 (1)
Stoich.:	ABC4D15E16 (1)
Weight, g/mol:	374.170253
ΔH_f, kcal/mol:	43.81
Dipole, Da:	2.28
IP(EA), eV:	-8.46(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(3-cyclohexyl-1,2,4-oxadiazol-5-yl)methyl]-7-hydroxy-4-oxo-5,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-2-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=NC2=C1C=CC(=C2)SC)NCC3=NN=C(O3)C

DOS

IR

Vibrations