Geometry & MOs

Info

ID:	287960
PubChem CID:	104302428
Reduced:	ClOC14H17 (1)
Stoich.:	ABC14D17 (1)
Weight, g/mol:	300.028412
ΔH_f, kcal/mol:	-33.87
Dipole, Da:	0.91
IP(EA), eV:	-9.41(-0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-chloro-4-[1-chloro-2-(2,3-difluorophenyl)ethyl]-2-methylbenzene

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)C2(C3C2CCCC3)O)Cl

DOS

IR

Vibrations