Geometry & MOs

Info

ID:	241752
PubChem CID:	96024161
Reduced:	NC10H11 (2)
Stoich.:	AB10C11 (2)
Weight, g/mol:	290.178299
ΔH_f, kcal/mol:	51.9
Dipole, Da:	4.73
IP(EA), eV:	-8.97(0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C2=C(CCN[C@@H]2C3=CC(=CC=C3)[C@@H](C)C#N)C=C1)C

DOS

IR

Vibrations