Geometry & MOs

Info

ID:	30065
PubChem CID:	839400
Reduced:	N2O3H20C21 (1)
Stoich.:	A2B3C20D21 (1)
Weight, g/mol:	323.076928
ΔH_f, kcal/mol:	-75.85
Dipole, Da:	1.38
IP(EA), eV:	-9.03(-1.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3-[[2-(trifluoromethyl)phenyl]carbamoyl]phenyl] acetate

Drug info:

PubChemData

Smile

C1CCC(CC1)C(=O)NC2=CC=CC(=C2)C3=NC4=CC=CC=C4C(=O)O3

DOS

IR

Vibrations