Geometry & MOs

Info

ID:	241070
PubChem CID:	93621537
Reduced:	O2N5C18H27 (1)
Stoich.:	A2B5C18D27 (1)
Weight, g/mol:	345.216475
ΔH_f, kcal/mol:	-74.22
Dipole, Da:	2.34
IP(EA), eV:	-8.98(-0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S)-1-(2-methylpropyl)-5-oxo-N-[(3S)-1-pyrimidin-2-ylpiperidin-3-yl]pyrrolidine-3-carboxamide

Drug info:

PubChemData

Smile

CC(C)CN1C[C@@H](CC1=O)C(=O)N[C@H]2CCCN(C2)C3=NC=CC=N3

DOS

IR

Vibrations