Geometry & MOs

Info

ID:	227779
PubChem CID:	87562469
Reduced:	ClF3H8C15 (1)
Stoich.:	AB3C8D15 (1)
Weight, g/mol:	375.226127
ΔH_f, kcal/mol:	-109.29
Dipole, Da:	4.74
IP(EA), eV:	-8.89(-1.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S)-1-[2-[3,3-dideuterio-4-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]ethyl]-6,7-bis(trideuteriomethoxy)-1,2,3,4-tetrahydroisoquinoline

Drug info:

PubChemData

Smile

C1=CC=C2C=C3C(=CC2=C1)C=CC(=C3C(F)(F)F)Cl

DOS

IR

Vibrations