Geometry & MOs

Info

ID:	189134
PubChem CID:	77821245
Reduced:	SN5O7C33H49 (1)
Stoich.:	AB5C7D33E49 (1)
Weight, g/mol:	320.01341
ΔH_f, kcal/mol:	-288.06
Dipole, Da:	5.23
IP(EA), eV:	-9.52(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(1-ethyl-3-iodopyrazol-4-yl)-1,3-diazinan-2-one

Drug info:

PubChemData

Smile

CCCCCCC=CC1CC1(C(=O)O)NC(=O)C2CCCN2C(=O)CNC(=O)NC(CN3CC4=CC=CC=C4S3(=O)=O)C(C)(C)C

DOS

IR

Vibrations