Geometry & MOs

Info

ID:	266051
PubChem CID:	103558108
Reduced:	FOCl2C14H17 (1)
Stoich.:	ABC2D14E17 (1)
Weight, g/mol:	272.073471
ΔH_f, kcal/mol:	-103.52
Dipole, Da:	1.48
IP(EA), eV:	-9.7(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-chloro-4-[2-chloro-3-(1-methoxycyclobutyl)propyl]benzene

Drug info:

PubChemData

Smile

COC1(CCC1)CC(CC2=C(C=CC=C2Cl)F)Cl

DOS

IR

Vibrations