Geometry & MOs

Info

ID:	62475
PubChem CID:	26719770
Reduced:	FN2O3C17H19 (1)
Stoich.:	AB2C3D17E19 (1)
Weight, g/mol:	304.122321
ΔH_f, kcal/mol:	-166.81
Dipole, Da:	4.17
IP(EA), eV:	-9.11(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-ethyl-5-[(3-fluorophenyl)carbamoyl]-4-methyl-1H-pyrrole-3-carboxylate

Drug info:

PubChemData

Smile

CC1=C(NC(=C1C(=O)OC(C)C)C)C(=O)NC2=CC(=CC=C2)F

DOS

IR

Vibrations