Geometry & MOs

Info

ID:	199807
PubChem CID:	79299075
Reduced:	ClOC12H17 (1)
Stoich.:	ABC12D17 (1)
Weight, g/mol:	196.101878
ΔH_f, kcal/mol:	-63.99
Dipole, Da:	2.83
IP(EA), eV:	-9.36(0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3-chloro-4-methylpentan-2-yl)benzene

Drug info:

PubChemData

Smile

CC(C)C(C(C)C1=CC(=CC=C1)Cl)O

DOS

IR

Vibrations