Geometry & MOs

Info

ID:	241870
PubChem CID:	96024442
Reduced:	NC18H23 (1)
Stoich.:	AB18C23 (1)
Weight, g/mol:	244.193949
ΔH_f, kcal/mol:	27.52
Dipole, Da:	2.34
IP(EA), eV:	-8.74(0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC2=C(C=C1C)[C@H](NCC2)[C@H]3C[C@H]4C[C@@H]3C=C4

DOS

IR

Vibrations