Geometry & MOs

Info

ID:	391246
PubChem CID:	135003854
Reduced:	NO2C13H15 (2)
Stoich.:	AB2C13D15 (2)
Weight, g/mol:	301.167794
ΔH_f, kcal/mol:	-122.3
Dipole, Da:	4.62
IP(EA), eV:	-8.05(-0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl (3S,4S)-4-ethenyl-3-ethyl-1-oxo-3,4-dihydroisoquinoline-2-carboxylate

Drug info:

PubChemData

Smile

CC1=CN(C(C2=CC(=C(C=C12)OC)OC)C(=O)NC3CCCCC3)C(=O)C4=CC=CC=C4

DOS

IR

Vibrations