Geometry & MOs

Info

ID:	135890
PubChem CID:	51952753
Reduced:	SO2N3C22H31 (1)
Stoich.:	AB2C3D22E31 (1)
Weight, g/mol:	369.241627
ΔH_f, kcal/mol:	-71.07
Dipole, Da:	3.9
IP(EA), eV:	-8.79(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(3R)-3-methylpiperidin-1-yl]-2-[(3R)-3-(pyrrolidine-1-carbonyl)-3,4-dihydro-1H-isoquinolin-2-yl]ethanone

Drug info:

PubChemData

Smile

C[C@@H]1CN(C[C@@H](O1)C)[C@@H](C)CNC(=O)CC2=C(N=C(S2)C)C3=CC=C(C=C3)C

DOS

IR

Vibrations