Geometry & MOs

Info

ID:	419942
PubChem CID:	135109971
Reduced:	O2N3C16H25 (1)
Stoich.:	A2B3C16D25 (1)
Weight, g/mol:	340.145678
ΔH_f, kcal/mol:	-82.71
Dipole, Da:	4.61
IP(EA), eV:	-8.77(0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(3R,4R)-4-hydroxy-1-[2-(2-methylphenyl)acetyl]pyrrolidin-3-yl]-N,N-dimethylmethanesulfonamide

Drug info:

PubChemData

Smile

CC1=C(C=CN1)C(=O)N2CC[C@]3(CCCN([C@@H]3C2)C)CO

DOS

IR

Vibrations