Geometry & MOs

Info

ID:	205864
PubChem CID:	80166541
Reduced:	ClO2N3C13H14 (1)
Stoich.:	AB2C3D13E14 (1)
Weight, g/mol:	272.102414
ΔH_f, kcal/mol:	-11.07
Dipole, Da:	2.89
IP(EA), eV:	-8.81(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2-methyloxolan-2-yl)-2-[3-(trifluoromethyl)phenyl]ethanone

Drug info:

PubChemData

Smile

CC1(CCCO1)C2=NOC(=N2)C3=C(C=CC(=C3)N)Cl

DOS

IR

Vibrations