Geometry & MOs

Info

ID:	445654
PubChem CID:	135268768
Reduced:	FIPN2O4C25H25 (1)
Stoich.:	ABCD2E4F25G25 (1)
Weight, g/mol:	244.143885
ΔH_f, kcal/mol:	-127.93
Dipole, Da:	1.67
IP(EA), eV:	-9.39(-1.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2-methylpentan-3-yl)-3-(2,2,2-trifluoroethyl)benzene

Drug info:

PubChemData

Smile

C1C(C(=O)C(C2=C(C1=O)N(C(=N2)C3=CC=C(C=C3)OC(F)P)CC4=CC=CC=C4)I)CCCO

DOS

IR

Vibrations