Geometry & MOs

Info

ID:	242074
PubChem CID:	96025433
Reduced:	NO3C13H17 (1)
Stoich.:	AB3C13D17 (1)
Weight, g/mol:	281.177964
ΔH_f, kcal/mol:	-125.15
Dipole, Da:	5.36
IP(EA), eV:	-9.24(-0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S)-1-(3-methoxy-4-methylphenyl)-5,8-dimethyl-1,2,3,4-tetrahydroisoquinoline

Drug info:

PubChemData

Smile

CC1=C2CCN[C@H](C2=C(C=C1)C)[C@@H](C(=O)O)O

DOS

IR

Vibrations