Geometry & MOs

Info

ID:	241160
PubChem CID:	96021597
Reduced:	NF3H16C17 (1)
Stoich.:	AB3C16D17 (1)
Weight, g/mol:	293.21435
ΔH_f, kcal/mol:	-110.94
Dipole, Da:	1.58
IP(EA), eV:	-9.0(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C2[C@H](NCCC2=CC=C1)CC3=C(C=C(C=C3F)F)F

DOS

IR

Vibrations