Geometry & MOs

Info

ID:	140717
PubChem CID:	52746297
Reduced:	NO3C23H29 (1)
Stoich.:	AB3C23D29 (1)
Weight, g/mol:	367.214744
ΔH_f, kcal/mol:	-106.53
Dipole, Da:	3.39
IP(EA), eV:	-8.67(0.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-2-(4-tert-butylphenoxy)-1-(7-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)propan-1-one

Drug info:

PubChemData

Smile

C[C@@H](C(=O)N1CCC2=C(C1)C=C(C=C2)OC)OC3=CC=C(C=C3)C(C)(C)C

DOS

IR

Vibrations