Geometry & MOs

Info

ID:	241118
PubChem CID:	96021276
Reduced:	NOC20H25 (1)
Stoich.:	ABC20D25 (1)
Weight, g/mol:	295.193614
ΔH_f, kcal/mol:	-23.28
Dipole, Da:	1.49
IP(EA), eV:	-8.53(0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R)-6-methyl-1-[(4-propylphenoxy)methyl]-1,2,3,4-tetrahydroisoquinoline

Drug info:

PubChemData

Smile

CCCC1=CC=C(C=C1)OC[C@@H]2C3=C(C=CC=C3CCN2)C

DOS

IR

Vibrations