Geometry & MOs

Info

ID:	418733
PubChem CID:	135106654
Reduced:	O2N4C12H17 (2)
Stoich.:	A2B4C12D17 (2)
Weight, g/mol:	348.216141
ΔH_f, kcal/mol:	-100.01
Dipole, Da:	6.06
IP(EA), eV:	-9.73(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S,4S)-3-hydroxy-1-(6-methyl-2-pyrrolidin-1-ylpyrimidin-4-yl)-4-propylpiperidine-4-carboxylic acid

Drug info:

PubChemData

Smile

C[C@@H]1C(=O)N[C@@H](C(=O)NCCCN(CCCC(=O)N1)C(=O)C2=CC=C(C=C2)CN3C=NN=N3)C(C)C

DOS

IR

Vibrations