Geometry & MOs

Info

ID:	379993
PubChem CID:	134964439
Reduced:	NSO3C9H19 (1)
Stoich.:	ABC3D9E19 (1)
Weight, g/mol:	215.1674
ΔH_f, kcal/mol:	-140.11
Dipole, Da:	3.8
IP(EA), eV:	-9.61(0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4aS,8aR)-2-phenyl-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline

Drug info:

PubChemData

Smile

CC/C=C\CCCNS(=O)(=O)CCO

DOS

IR

Vibrations