Geometry & MOs

Info

ID:	339775
PubChem CID:	127261784
Reduced:	NSO2H11C12 (1)
Stoich.:	ABC2D11E12 (1)
Weight, g/mol:	255.1987
ΔH_f, kcal/mol:	-19.08
Dipole, Da:	3.54
IP(EA), eV:	-9.53(-1.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(E)-3-phenylprop-2-enyl]-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline

Drug info:

PubChemData

Smile

CS(=O)(=O)/C=C/C1=CN=CC2=CC=CC=C21

DOS

IR

Vibrations