Geometry & MOs

Info

ID:	242012
PubChem CID:	96025079
Reduced:	NOC15H21 (1)
Stoich.:	ABC15D21 (1)
Weight, g/mol:	281.177964
ΔH_f, kcal/mol:	-53.47
Dipole, Da:	2.88
IP(EA), eV:	-8.72(0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations