Geometry & MOs

Info

ID:	241941
PubChem CID:	96024725
Reduced:	NC16H23 (1)
Stoich.:	AB16C23 (1)
Weight, g/mol:	279.111542
ΔH_f, kcal/mol:	10.62
Dipole, Da:	1.35
IP(EA), eV:	-8.67(0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C2=C(CCN[C@@H]2[C@H]3CC3(C)C)C=C1)C

DOS

IR

Vibrations