Geometry & MOs

Info

ID:	202612
PubChem CID:	79698679
Reduced:	FNOC18H26 (1)
Stoich.:	ABCD18E26 (1)
Weight, g/mol:	240.091708
ΔH_f, kcal/mol:	-61.16
Dipole, Da:	2.11
IP(EA), eV:	-8.72(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-chloro-3-methoxyphenyl)-4-methylpentan-1-one

Drug info:

PubChemData

Smile

CCCCN(CC1=CC(=CC(=C1)F)C#CCO)C(C)CC

DOS

IR

Vibrations