Geometry & MOs

Info

ID:	144449
PubChem CID:	53369542
Reduced:	OS2N5C16H17 (1)
Stoich.:	AB2C5D16E17 (1)
Weight, g/mol:	291.169525
ΔH_f, kcal/mol:	59.66
Dipole, Da:	4.58
IP(EA), eV:	-9.75(-1.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[2-(dimethylamino)ethylamino]-4-[2-(5-methylpyrazol-1-yl)ethylamino]cyclobut-3-ene-1,2-dione

Drug info:

PubChemData

Smile

CC1=C(SC(=N1)C2=CC=NC=C2)C(=O)NC3=NN=C(S3)CC(C)C

DOS

IR

Vibrations