Geometry & MOs

Info

ID:	196690
PubChem CID:	78865055
Reduced:	NF3O3C18H18 (1)
Stoich.:	AB3C3D18E18 (1)
Weight, g/mol:	405.151098
ΔH_f, kcal/mol:	-238.34
Dipole, Da:	4.59
IP(EA), eV:	-9.06(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methyl-N-[2-methyl-6-(pyrrolidine-1-carbonyl)phenyl]-6-thiophen-2-ylpyridine-3-carboxamide

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)CNC(=O)CCC2=CC=C(C=C2)OC(F)F)F

DOS

IR

Vibrations