Geometry & MOs

Info

ID:	241772
PubChem CID:	96024218
Reduced:	NOC18H19 (1)
Stoich.:	ABC18D19 (1)
Weight, g/mol:	230.178299
ΔH_f, kcal/mol:	-2.48
Dipole, Da:	2.58
IP(EA), eV:	-8.78(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S)-7,8-dimethyl-1-[(2S)-pyrrolidin-2-yl]-1,2,3,4-tetrahydroisoquinoline

Drug info:

PubChemData

Smile

CC1=CC2=C(C=C1C)[C@@H](NCC2)C(=O)C3=CC=CC=C3

DOS

IR

Vibrations