Geometry & MOs

Info

ID:	169217
PubChem CID:	75076279
Reduced:	NSO3C23H33 (1)
Stoich.:	ABC3D23E33 (1)
Weight, g/mol:	235.1361
ΔH_f, kcal/mol:	-98.47
Dipole, Da:	7.35
IP(EA), eV:	-8.36(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2-phenylethenyl)-3,4-dihydro-1H-isoquinoline

Drug info:

PubChemData

Smile

C=CCN(CC=C)C(=S)CC(CCCCCCCOC(=O)C1=CC=CC=C1)O

DOS

IR

Vibrations