Geometry & MOs

Info

ID:	241750
PubChem CID:	96024158
Reduced:	NOC20H25 (1)
Stoich.:	ABC20D25 (1)
Weight, g/mol:	290.178299
ΔH_f, kcal/mol:	-26.21
Dipole, Da:	2.55
IP(EA), eV:	-8.45(0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-2-[3-[(1S)-7,8-dimethyl-1,2,3,4-tetrahydroisoquinolin-1-yl]phenyl]propanenitrile

Drug info:

PubChemData

Smile

CC1=CC2=C(C=C1C)[C@@H](NCC2)CCC3=CC=C(C=C3)OC

DOS

IR

Vibrations