Geometry & MOs

Info

ID:	422637
PubChem CID:	135118173
Reduced:	FO2N3C15H16 (1)
Stoich.:	AB2C3D15E16 (1)
Weight, g/mol:	315.1293
ΔH_f, kcal/mol:	-60.36
Dipole, Da:	5.42
IP(EA), eV:	-9.03(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-benzothiophen-3-yl-[(4R,5R)-4-hydroxy-7-azaspiro[4.5]decan-7-yl]methanone

Drug info:

PubChemData

Smile

C1CN(CC1C(=O)O)CC2=CN(N=C2)C3=CC=CC=C3F

DOS

IR

Vibrations