Geometry & MOs

Info

ID:	152004
PubChem CID:	56310843
Reduced:	FO2N3C22H26 (1)
Stoich.:	AB2C3D22E26 (1)
Weight, g/mol:	357.185255
ΔH_f, kcal/mol:	-70.51
Dipole, Da:	5.67
IP(EA), eV:	-9.0(-0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(N-[2-(4-fluoro-N-propan-2-ylanilino)acetyl]anilino)propanamide

Drug info:

PubChemData

Smile

CCOC1=CC=C(C=C1)N(CCC#N)C(=O)CN(C2=CC=C(C=C2)F)C(C)C

DOS

IR

Vibrations