Geometry & MOs

Info

ID:	125898
PubChem CID:	50942776
Reduced:	O2C11H18 (1)
Stoich.:	A2B11C18 (1)
Weight, g/mol:	346.058116
ΔH_f, kcal/mol:	-100.91
Dipole, Da:	2.81
IP(EA), eV:	-9.53(0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[5-chloro-2-(5-nitrofuran-2-yl)pyrimidin-4-yl]-5-cyclopropylpyrazol-3-amine

Drug info:

PubChemData

Smile

C1CC=CC(C1)CC(=O)CCCO

DOS

IR

Vibrations