Geometry & MOs

Info

ID:	404601
PubChem CID:	135067441
Reduced:	OC13H16 (1)
Stoich.:	AB13C16 (1)
Weight, g/mol:	310.131742
ΔH_f, kcal/mol:	19.63
Dipole, Da:	2.2
IP(EA), eV:	-8.93(0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4R)-2-benzyl-4-ethenyl-6-nitro-3,4-dihydro-1H-isoquinolin-5-ol

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)OC#CC(C)(C)C

DOS

IR

Vibrations