Geometry & MOs

Info

ID:	241979
PubChem CID:	96024896
Reduced:	NC18H25 (1)
Stoich.:	AB18C25 (1)
Weight, g/mol:	271.103085
ΔH_f, kcal/mol:	-4.94
Dipole, Da:	1.77
IP(EA), eV:	-8.73(0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(1S)-7,8-dimethyl-1,2,3,4-tetrahydroisoquinolin-1-yl]-thiophen-2-ylmethanone

Drug info:

PubChemData

Smile

CC1=C(C2=C(CCN[C@H]2CC3=CCCCC3)C=C1)C

DOS

IR

Vibrations