Geometry & MOs

Info

ID:	416033
PubChem CID:	135089038
Reduced:	O3N6C13H14 (1)
Stoich.:	A3B6C13D14 (1)
Weight, g/mol:	353.210327
ΔH_f, kcal/mol:	73.7
Dipole, Da:	6.99
IP(EA), eV:	-9.94(-1.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(3S,4R)-3-hydroxy-4-(pyridin-2-ylmethyl)pyrrolidin-1-yl]-[2-(2-methylpropylamino)phenyl]methanone

Drug info:

PubChemData

Smile

CNC(=O)C1=NOC(=N1)CN(C)CC2=CC3=NON=C3C=C2

DOS

IR

Vibrations