Geometry & MOs

Info

ID:	417226
PubChem CID:	135091738
Reduced:	ON5C19H27 (1)
Stoich.:	AB5C19D27 (1)
Weight, g/mol:	395.220892
ΔH_f, kcal/mol:	11.33
Dipole, Da:	3.84
IP(EA), eV:	-9.09(-0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-[(3R,4R)-3-hydroxy-4-(pyridin-4-ylmethyl)pyrrolidine-1-carbonyl]-2-methylphenyl]-2,2-dimethylpropanamide

Drug info:

PubChemData

Smile

CC1=NC=C2CCC3(C2=N1)CCCN(C3)CC4=CN=CN4CCOC

DOS

IR

Vibrations