Geometry & MOs

Info

ID:	56125
PubChem CID:	17422064
Reduced:	N3O3C21H23 (1)
Stoich.:	A3B3C21D23 (1)
Weight, g/mol:	340.103477
ΔH_f, kcal/mol:	-110.51
Dipole, Da:	1.76
IP(EA), eV:	-8.84(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-oxo-N-[[4-(2,2,2-trifluoroethoxymethyl)phenyl]methyl]-1H-pyridine-3-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)CCCNC(=O)CN2C3=CC=CC=C3C(=O)NC2=O)C

DOS

IR

Vibrations