Geometry & MOs

Info

ID:	242010
PubChem CID:	96025067
Reduced:	N3C15H17 (1)
Stoich.:	A3B15C17 (1)
Weight, g/mol:	257.123821
ΔH_f, kcal/mol:	49.49
Dipole, Da:	2.82
IP(EA), eV:	-8.86(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S)-7,8-dimethyl-1-(thiophen-2-ylmethyl)-1,2,3,4-tetrahydroisoquinoline

Drug info:

PubChemData

Smile

CC1=CC2=C(C=C1C)[C@H](NCC2)C3=NC=CN=C3

DOS

IR

Vibrations