Geometry & MOs

Info

ID:	241223
PubChem CID:	96022116
Reduced:	NF2C14H17 (1)
Stoich.:	AB2C14D17 (1)
Weight, g/mol:	237.132906
ΔH_f, kcal/mol:	-71.69
Dipole, Da:	2.6
IP(EA), eV:	-9.04(-0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1(C[C@@H]1[C@@H]2C3=C(CCN2)C=C(C=C3F)F)C

DOS

IR

Vibrations