Geometry & MOs

Info

ID:	416957
PubChem CID:	135090903
Reduced:	N3O4C18H23 (1)
Stoich.:	A3B4C18D23 (1)
Weight, g/mol:	319.200825
ΔH_f, kcal/mol:	-89.42
Dipole, Da:	2.9
IP(EA), eV:	-9.48(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S,4R)-1-methyl-4-[(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)amino]pyrrolidine-2-carboxylic acid

Drug info:

PubChemData

Smile

CCOC1=C(C=CC=N1)C(=O)N2C[C@H]([C@H](C2)OC)CC3=CC(=NO3)C

DOS

IR

Vibrations