Geometry & MOs

Info

ID:	391418
PubChem CID:	135004875
Reduced:	NC16H23 (1)
Stoich.:	AB16C23 (1)
Weight, g/mol:	349.204179
ΔH_f, kcal/mol:	4.06
Dipole, Da:	2.93
IP(EA), eV:	-7.91(0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl (3S,4S)-3-benzyl-4-ethenyl-3,4-dihydro-1H-isoquinoline-2-carboxylate

Drug info:

PubChemData

Smile

C[C@H]1[C@@H](CCN1C2=CC=CC=C2)C(=C(C)C)C

DOS

IR

Vibrations