Geometry & MOs

Info

ID:	192552
PubChem CID:	78285134
Reduced:	O2N3H15C18 (1)
Stoich.:	A2B3C15D18 (1)
Weight, g/mol:	309.091355
ΔH_f, kcal/mol:	25.29
Dipole, Da:	6.91
IP(EA), eV:	-8.87(-1.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[[2-(4-fluorophenyl)-5-oxo-1,3-oxazol-4-ylidene]methyl]-1,5-dimethylpyrrole-2-carbonitrile

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)C2=NC(=CC3=C(N(C(=C3)C#N)C)C)C(=O)O2

DOS

IR

Vibrations