Geometry & MOs

Info

ID:	307764
PubChem CID:	125308970
Reduced:	FO2N4H19C20 (1)
Stoich.:	AB2C4D19E20 (1)
Weight, g/mol:	293.148789
ΔH_f, kcal/mol:	-48.53
Dipole, Da:	5.61
IP(EA), eV:	-8.88(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl N-[(3S)-2-(4-ethyl-6-oxo-5H-pyrimidin-2-yl)-5-methyl-3,4-dihydropyrazol-3-yl]carbamate

Drug info:

PubChemData

Smile

C1CN(CCN1C2=NC(=O)N(C(=O)C2)C3=CC=CC=C3)C4=CC=CC=C4F

DOS

IR

Vibrations