Geometry & MOs

Info

ID:	355400
PubChem CID:	127288463
Reduced:	O2N4C17H26 (1)
Stoich.:	A2B4C17D26 (1)
Weight, g/mol:	315.169525
ΔH_f, kcal/mol:	-77.21
Dipole, Da:	6.03
IP(EA), eV:	-9.06(0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-oxo-2-[2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-1-yl]ethyl]pyrimidin-2-one

Drug info:

PubChemData

Smile

CC1=C(C(=NN1C)C)C2CCCN2C(=O)C3CCCN3C(=O)C

DOS

IR

Vibrations