Geometry & MOs

Info

ID:	145620
PubChem CID:	53557593
Reduced:	F3N4O4H17C20 (1)
Stoich.:	A3B4C4D17E20 (1)
Weight, g/mol:	337.142641
ΔH_f, kcal/mol:	-235.9
Dipole, Da:	3.31
IP(EA), eV:	-9.72(-1.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(2-methoxyphenyl)-N-[(2-methoxypyridin-3-yl)methyl]-1H-pyrrole-3-carboxamide

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C(C(=O)OCCC2=C(NC(=O)C(=C2)C(=O)N)C(F)(F)F)N3C=CC=N3

DOS

IR

Vibrations