Geometry & MOs

Info

ID:	166007
PubChem CID:	74625769
Reduced:	FON7C21H26 (1)
Stoich.:	ABC7D21E26 (1)
Weight, g/mol:	363.231063
ΔH_f, kcal/mol:	10.87
Dipole, Da:	5.57
IP(EA), eV:	-8.77(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-(4-ethylpiperazin-1-yl)-2-methylphenyl]-3-(4-methylphenyl)prop-2-enamide

Drug info:

PubChemData

Smile

C1CC2CNNC2C(C1)C(=O)NCCCC3=NN(C(=C3C#N)N)C4=CC=C(C=C4)F

DOS

IR

Vibrations