Geometry & MOs

Info

ID:	421955
PubChem CID:	135116909
Reduced:	O2N5C23H29 (1)
Stoich.:	A2B5C23D29 (1)
Weight, g/mol:	359.151492
ΔH_f, kcal/mol:	-58.74
Dipole, Da:	1.84
IP(EA), eV:	-8.82(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(3R,4R)-1-[(3,4-dimethoxypyridin-2-yl)methyl]-4-hydroxypyrrolidin-3-yl]-N,N-dimethylmethanesulfonamide

Drug info:

PubChemData

Smile

CCC1=CC(=CC=C1)NC(=O)CCC(=O)N2CCCC3(C2)CCC4=CN=C(N=C34)N

DOS

IR

Vibrations