Geometry & MOs

Info

ID:	241145
PubChem CID:	96021514
Reduced:	NSC12H17 (1)
Stoich.:	ABC12D17 (1)
Weight, g/mol:	267.06226
ΔH_f, kcal/mol:	1.58
Dipole, Da:	3.74
IP(EA), eV:	-8.76(0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S)-1-[(1S)-1-bromopropyl]-8-methyl-1,2,3,4-tetrahydroisoquinoline

Drug info:

PubChemData

Smile

CC1=CC2=C(C=C1)[C@H](NCC2)CCS

DOS

IR

Vibrations