Geometry & MOs

Info

ID:	130835
PubChem CID:	51115776
Reduced:	O2F3N4H13C18 (1)
Stoich.:	A2B3C4D13E18 (1)
Weight, g/mol:	365.098726
ΔH_f, kcal/mol:	-131.43
Dipole, Da:	11.86
IP(EA), eV:	-8.89(-1.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-acetyl-N-[3-cyano-4-(2,2,2-trifluoroethoxy)phenyl]-1-methylpyrrole-2-carboxamide

Drug info:

PubChemData

Smile

CC1=CC=CC2=NC(=CN12)C(=O)NC3=CC(=C(C=C3)OCC(F)(F)F)C#N

DOS

IR

Vibrations