Geometry & MOs

Info

ID:	241117
PubChem CID:	96021268
Reduced:	NO2C18H19 (1)
Stoich.:	AB2C18D19 (1)
Weight, g/mol:	295.193614
ΔH_f, kcal/mol:	-38.47
Dipole, Da:	2.61
IP(EA), eV:	-8.57(0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S)-8-methyl-1-[(4-propylphenoxy)methyl]-1,2,3,4-tetrahydroisoquinoline

Drug info:

PubChemData

Smile

CC1=C2[C@@H](NCCC2=CC=C1)[C@@H]3COC4=CC=CC=C4O3

DOS

IR

Vibrations