Geometry & MOs

Info

ID:	426111
PubChem CID:	135139027
Reduced:	F2N4O4C25H28 (1)
Stoich.:	A2B4C4D25E28 (1)
Weight, g/mol:	182.086228
ΔH_f, kcal/mol:	-184.2
Dipole, Da:	0.98
IP(EA), eV:	-8.95(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-chloro-2,5-dimethyl-3-propan-2-ylbenzene

Drug info:

PubChemData

Smile

CC1=C(C=C(C=N1)NC(C2=CC(=NC=C2)C(C)(C)F)O)C3=NC(=CC(=C3)C4(COC4)F)OCCO

DOS

IR

Vibrations