Geometry & MOs

Info

ID:	241267
PubChem CID:	96022290
Reduced:	NSF2C11H13 (1)
Stoich.:	ABC2D11E13 (1)
Weight, g/mol:	289.02777
ΔH_f, kcal/mol:	-84.49
Dipole, Da:	2.51
IP(EA), eV:	-8.9(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S)-1-[(1R)-1-bromopropyl]-6,8-difluoro-1,2,3,4-tetrahydroisoquinoline

Drug info:

PubChemData

Smile

C1CN[C@@H](C2=C1C=C(C=C2F)F)CCS

DOS

IR

Vibrations