Geometry & MOs

Info

ID:	358977
PubChem CID:	127296868
Reduced:	O2N3C24H27 (1)
Stoich.:	A2B3C24D27 (1)
Weight, g/mol:	377.152161
ΔH_f, kcal/mol:	10.38
Dipole, Da:	1.88
IP(EA), eV:	-8.88(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(5-tert-butyl-2-pyrimidin-2-ylpyrazol-3-yl)-2-(1,1-dioxothiolan-3-yl)acetamide

Drug info:

PubChemData

Smile

CC(C)C1=NC(=NO1)C2CCCN(C2)C(=O)C3CC3C4=CC5=CC=CC=C5C=C4

DOS

IR

Vibrations