Geometry & MOs

Info

ID:	290042
PubChem CID:	104402005
Reduced:	ClO2N5C13H22 (1)
Stoich.:	AB2C5D13E22 (1)
Weight, g/mol:	251.138225
ΔH_f, kcal/mol:	-79.87
Dipole, Da:	2.84
IP(EA), eV:	-9.72(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-amino-N-[1-(cyclopropylamino)-1-oxopropan-2-yl]-1-methylpyrazole-4-carboxamide

Drug info:

PubChemData

Smile

CC(C)CNC(=O)C(C)NC1=NC(=NC(=N1)Cl)OC(C)C

DOS

IR

Vibrations