Geometry & MOs

Info

ID:	369400
PubChem CID:	127333120
Reduced:	SN2O2C19H22 (1)
Stoich.:	AB2C2D19E22 (1)
Weight, g/mol:	337.153875
ΔH_f, kcal/mol:	35.65
Dipole, Da:	5.68
IP(EA), eV:	-9.37(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-amino-1-[4-(3-hydroxy-8-azabicyclo[3.2.1]octane-8-carbonyl)phenyl]pyrazole-4-carbonitrile

Drug info:

PubChemData

Smile

C1CC2CC(CC1N2C(=O)CC3=CSC(=N3)CC4=CC=CC=C4)O

DOS

IR

Vibrations