Geometry & MOs

Info

ID:	416149
PubChem CID:	135089157
Reduced:	O2N4C19H22 (1)
Stoich.:	A2B4C19D22 (1)
Weight, g/mol:	383.184506
ΔH_f, kcal/mol:	24.57
Dipole, Da:	2.72
IP(EA), eV:	-9.11(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[[[2-[(3S,4R)-3-hydroxy-4-(pyridin-2-ylmethyl)pyrrolidin-1-yl]acetyl]amino]methyl]-4-methylbenzoic acid

Drug info:

PubChemData

Smile

C1CCN(C(C1)CCC2=CC=CC=N2)CC3=NN=C(O3)C4=CC=CO4

DOS

IR

Vibrations