Geometry & MOs

Info

ID:	404553
PubChem CID:	135066715
Reduced:	SN2O4H18C19 (1)
Stoich.:	AB2C4D18E19 (1)
Weight, g/mol:	299.107692
ΔH_f, kcal/mol:	-121.24
Dipole, Da:	7.01
IP(EA), eV:	-8.94(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4R)-2-benzyl-8-chloro-4-ethenyl-3,4-dihydro-1H-isoquinolin-7-ol

Drug info:

PubChemData

Smile

CC1(COC(=O)N1C(=O)[C@H]2[C@@H](OC(=S)N2)C3=CC4=CC=CC=C4C=C3)C

DOS

IR

Vibrations