Geometry & MOs

Info

ID:	62474
PubChem CID:	26719769
Reduced:	FNO2H16C20 (1)
Stoich.:	ABC2D16E20 (1)
Weight, g/mol:	318.137971
ΔH_f, kcal/mol:	-55.36
Dipole, Da:	5.39
IP(EA), eV:	-9.02(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

propan-2-yl 5-[(3-fluorophenyl)carbamoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)OCC2=CC=CC=C2C(=O)NC3=CC(=CC=C3)F

DOS

IR

Vibrations