Geometry & MOs

Info

ID:	241930
PubChem CID:	96024671
Reduced:	NSC16H23 (1)
Stoich.:	ABC16D23 (1)
Weight, g/mol:	244.193949
ΔH_f, kcal/mol:	10.43
Dipole, Da:	3.02
IP(EA), eV:	-8.85(0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-3-[(1R)-7,8-dimethyl-1,2,3,4-tetrahydroisoquinolin-1-yl]-N,N-dimethylprop-2-en-1-amine

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations