Geometry & MOs

Info

ID:	55935
PubChem CID:	17397579
Reduced:	O2N3H15C17 (1)
Stoich.:	A2B3C15D17 (1)
Weight, g/mol:	302.143056
ΔH_f, kcal/mol:	-10.89
Dipole, Da:	3.24
IP(EA), eV:	-8.99(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-acetyl-N-[2-(2-fluorophenyl)ethyl]-3,5-dimethyl-1H-pyrrole-2-carboxamide

Drug info:

PubChemData

Smile

C1COC2=CC=CC=C2C1NC(=O)C3=CC4=C(C=C3)N=CN4

DOS

IR

Vibrations