Geometry & MOs

Info

ID:	28678
PubChem CID:	828910
Reduced:	ClNSO3H12C13 (1)
Stoich.:	ABCD3E12F13 (1)
Weight, g/mol:	339.219829
ΔH_f, kcal/mol:	-102.53
Dipole, Da:	3.29
IP(EA), eV:	-9.48(-1.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-(3-methyl-4-propan-2-ylphenoxy)propan-2-ol

Drug info:

PubChemData

Smile

CCOC(=O)C1=C(SCC1=O)NC2=CC=C(C=C2)Cl

DOS

IR

Vibrations