Geometry & MOs

Info

ID:	241874
PubChem CID:	96024461
Reduced:	NC10H12 (2)
Stoich.:	AB10C12 (2)
Weight, g/mol:	227.131014
ΔH_f, kcal/mol:	23.82
Dipole, Da:	2.9
IP(EA), eV:	-8.78(0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S)-1-(furan-3-yl)-7,8-dimethyl-1,2,3,4-tetrahydroisoquinoline

Drug info:

PubChemData

Smile

CC1=CC2=C(C=C1C)[C@@H](NCC2)[C@@H]3CC4=CC=CC=C4CN3

DOS

IR

Vibrations