Geometry & MOs

Info

ID:	350170
PubChem CID:	127277248
Reduced:	SO2N4C19H22 (1)
Stoich.:	AB2C4D19E22 (1)
Weight, g/mol:	395.232125
ΔH_f, kcal/mol:	-55.87
Dipole, Da:	8.69
IP(EA), eV:	-8.22(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-(2-methyl-4-oxo-1H-pyrimidin-6-yl)phenyl]-2-(piperidin-1-ylmethyl)pyrrolidine-1-carboxamide

Drug info:

PubChemData

Smile

CCC1CCCN1C(=O)NC2=NC(=CS2)C3=CC4=C(C=C3)NC(=O)CC4

DOS

IR

Vibrations