Geometry & MOs

Info

ID:	241130
PubChem CID:	96021407
Reduced:	ClNC18H18 (1)
Stoich.:	ABC18D18 (1)
Weight, g/mol:	267.06226
ΔH_f, kcal/mol:	38.18
Dipole, Da:	3.55
IP(EA), eV:	-9.19(-0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S)-1-(2-bromopropan-2-yl)-6-methyl-1,2,3,4-tetrahydroisoquinoline

Drug info:

PubChemData

Smile

CC1=C2[C@@H](NCCC2=CC=C1)/C=C/C3=CC(=CC=C3)Cl

DOS

IR

Vibrations