Geometry & MOs

Info

ID:	370757
PubChem CID:	127340124
Reduced:	OSN5C16H19 (1)
Stoich.:	ABC5D16E19 (1)
Weight, g/mol:	317.148789
ΔH_f, kcal/mol:	47.43
Dipole, Da:	6.25
IP(EA), eV:	-9.11(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-oxo-2-[4-(pyrazol-1-ylmethyl)piperidin-1-yl]ethyl]pyrimidine-2,4-dione

Drug info:

PubChemData

Smile

C1CN(CCC1CN2C=CC=N2)C(=O)CC3=CN4C=CSC4=N3

DOS

IR

Vibrations