Geometry & MOs

Info

ID:	136238
PubChem CID:	52005326
Reduced:	N4O4C17H20 (1)
Stoich.:	A4B4C17D20 (1)
Weight, g/mol:	304.164774
ΔH_f, kcal/mol:	-98.33
Dipole, Da:	2.69
IP(EA), eV:	-8.85(-0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1,5-dimethyl-N-[2-oxo-2-[(1-propan-2-ylpyrazol-4-yl)amino]ethyl]pyrazole-3-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=NN1C)C(=O)NCC(=O)NCCC2=CC3=C(C=C2)OCO3

DOS

IR

Vibrations