Geometry & MOs

Info

ID:	260757
PubChem CID:	103202930
Reduced:	O2N3C16H19 (1)
Stoich.:	A2B3C16D19 (1)
Weight, g/mol:	273.12774
ΔH_f, kcal/mol:	0.28
Dipole, Da:	5.22
IP(EA), eV:	-7.66(-0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(2-ethoxy-4-fluoroanilino)methyl]-1-methylpyrrole-2-carbonitrile

Drug info:

PubChemData

Smile

CCOC1=C(C=CC(=C1)NCC2=CN(C(=C2)C#N)C)OC

DOS

IR

Vibrations