Geometry & MOs

Info

ID:	242088
PubChem CID:	96025659
Reduced:	NC10H10 (2)
Stoich.:	AB10C10 (2)
Weight, g/mol:	216.162649
ΔH_f, kcal/mol:	55.9
Dipole, Da:	1.2
IP(EA), eV:	-8.84(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S)-1-(azetidin-3-yl)-5,8-dimethyl-1,2,3,4-tetrahydroisoquinoline

Drug info:

PubChemData

Smile

CC1=C2CCN[C@H](C2=C(C=C1)C)C3=CC4=C(C=C3)N=CC=C4

DOS

IR

Vibrations