Geometry & MOs

Info

ID:	432396
PubChem CID:	135172529
Reduced:	ClON4C16H18 (2)
Stoich.:	ABC4D16E18 (2)
Weight, g/mol:	344.198759
ΔH_f, kcal/mol:	-7.01
Dipole, Da:	2.91
IP(EA), eV:	-8.79(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(3,5-dimethyl-2,3-dihydrofuran-2-yl)-1,4-bis(5-methylfuran-2-yl)pentan-1-ol

Drug info:

PubChemData

Smile

CCCN1CCC2=C(C1)N=C(N2C)C(=O)NC3=CC=CC(=C3Cl)C4=C(C(=CC=C4)NC(=O)C5=NC6=C(N5C)CCN(C6)C)Cl

DOS

IR

Vibrations