Geometry & MOs

Info

ID:	241985
PubChem CID:	96024951
Reduced:	N2C13H16 (1)
Stoich.:	A2B13C16 (1)
Weight, g/mol:	295.193614
ΔH_f, kcal/mol:	25.59
Dipole, Da:	3.56
IP(EA), eV:	-8.95(0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC2=C(C=C1C)[C@H](NCC2)CC#N

DOS

IR

Vibrations