Geometry & MOs

Info

ID:	241133
PubChem CID:	96021432
Reduced:	BrNC12H16 (1)
Stoich.:	ABC12D16 (1)
Weight, g/mol:	275.120467
ΔH_f, kcal/mol:	-3.78
Dipole, Da:	3.19
IP(EA), eV:	-8.94(0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R)-8-methyl-1-[(1-methyltetrazol-5-yl)sulfanylmethyl]-1,2,3,4-tetrahydroisoquinoline

Drug info:

PubChemData

Smile

CC1=C2[C@H](NCCC2=CC=C1)[C@@H](C)Br

DOS

IR

Vibrations