Geometry & MOs

Info

ID:	178012
PubChem CID:	76262294
Reduced:	O3N5C21H27 (1)
Stoich.:	A3B5C21D27 (1)
Weight, g/mol:	316.13872
ΔH_f, kcal/mol:	35.66
Dipole, Da:	5.93
IP(EA), eV:	-9.43(-1.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(2,6-difluorophenyl)-N-[2-(N-methylanilino)ethyl]prop-2-enamide

Drug info:

PubChemData

Smile

CC(C)C1=NOC(=N1)CCCC(=O)N(CC2=NC(=O)C3C=CC=CC3=N2)C(C)C

DOS

IR

Vibrations