Geometry & MOs

Info

ID:	196627
PubChem CID:	78856020
Reduced:	NO2C16H17 (1)
Stoich.:	AB2C16D17 (1)
Weight, g/mol:	290.143056
ΔH_f, kcal/mol:	-45.55
Dipole, Da:	2.89
IP(EA), eV:	-9.07(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-fluorophenyl)-N-(2-hydroxypropyl)-2,5-dimethylpyrrole-3-carboxamide

Drug info:

PubChemData

Smile

CC(CNC(=O)/C=C/C1=CC=CC2=CC=CC=C21)O

DOS

IR

Vibrations