Geometry & MOs

Info

ID:	241703
PubChem CID:	96024045
Reduced:	NC20H25 (1)
Stoich.:	AB20C25 (1)
Weight, g/mol:	287.148556
ΔH_f, kcal/mol:	14.83
Dipole, Da:	2.91
IP(EA), eV:	-8.7(0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S)-1-[(2,4-difluorophenyl)methyl]-6,7-dimethyl-1,2,3,4-tetrahydroisoquinoline

Drug info:

PubChemData

Smile

CC1=CC2=C(C=C1C)[C@@H](NCC2)C(C)(C)C3=CC=CC=C3

DOS

IR

Vibrations