Geometry & MOs

Info

ID:	59611
PubChem CID:	24890406
Reduced:	ClON6C27H31 (1)
Stoich.:	ABC6D27E31 (1)
Weight, g/mol:	214.076057
ΔH_f, kcal/mol:	61.32
Dipole, Da:	4.75
IP(EA), eV:	-7.53(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-chloro-1-(5-propan-2-ylfuran-2-yl)but-3-en-1-ol

Drug info:

PubChemData

Smile

CC1=NC2=C(C=NN2C(=C1C3=CC(=CC=C3)Cl)N)C4=C(C=CC(=C4)N5CCC(CC5)N(C)C)OC

DOS

IR

Vibrations