Geometry & MOs

Info

ID:	241259
PubChem CID:	96022257
Reduced:	NF2O2C11H13 (1)
Stoich.:	AB2C2D11E13 (1)
Weight, g/mol:	275.01212
ΔH_f, kcal/mol:	-165.03
Dipole, Da:	4.84
IP(EA), eV:	-9.43(-0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations