Geometry & MOs

Info

ID:	242035
PubChem CID:	96025183
Reduced:	NSC13H19 (1)
Stoich.:	ABC13D19 (1)
Weight, g/mol:	281.07791
ΔH_f, kcal/mol:	-6.71
Dipole, Da:	3.76
IP(EA), eV:	-8.73(0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S)-1-[(1S)-1-bromopropyl]-7,8-dimethyl-1,2,3,4-tetrahydroisoquinoline

Drug info:

PubChemData

Smile

CC1=CC2=C(C=C1C)[C@H](NCC2)CCS

DOS

IR

Vibrations