Geometry & MOs

Info

ID:	241897
PubChem CID:	96024526
Reduced:	SN2C14H20 (1)
Stoich.:	AB2C14D20 (1)
Weight, g/mol:	226.146999
ΔH_f, kcal/mol:	6.32
Dipole, Da:	3.03
IP(EA), eV:	-8.72(0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R)-7,8-dimethyl-1-(1H-pyrrol-3-yl)-1,2,3,4-tetrahydroisoquinoline

Drug info:

PubChemData

Smile

CC1=CC2=C(C=C1C)[C@H](NCC2)[C@@H]3CSCN3

DOS

IR

Vibrations