Geometry & MOs

Info

ID:	242094
PubChem CID:	96025831
Reduced:	NO3C14H19 (1)
Stoich.:	AB3C14D19 (1)
Weight, g/mol:	299.168543
ΔH_f, kcal/mol:	-126.91
Dipole, Da:	5.97
IP(EA), eV:	-9.0(0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R)-1-[(3-fluoro-4-methoxyphenyl)methyl]-5,8-dimethyl-1,2,3,4-tetrahydroisoquinoline

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations