Geometry & MOs

Info

ID:	241987
PubChem CID:	96024960
Reduced:	ON2C18H26 (1)
Stoich.:	AB2C18D26 (1)
Weight, g/mol:	286.204513
ΔH_f, kcal/mol:	-55.18
Dipole, Da:	3.34
IP(EA), eV:	-8.89(0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4S)-4-[(1R)-7,8-dimethyl-1,2,3,4-tetrahydroisoquinolin-1-yl]-1-propan-2-ylpyrrolidin-2-one

Drug info:

PubChemData

Smile

CC1=C(C2=C(CCN[C@H]2[C@H]3CC(=O)N(C3)C(C)C)C=C1)C

DOS

IR

Vibrations