Geometry & MOs

Info

ID:	182230
PubChem CID:	76861690
Reduced:	O2N5C20H31 (1)
Stoich.:	A2B5C20D31 (1)
Weight, g/mol:	285.12774
ΔH_f, kcal/mol:	-66.02
Dipole, Da:	3.1
IP(EA), eV:	-7.97(0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(dimethylamino)pyridin-3-yl]-3-(4-fluorophenyl)prop-2-enamide

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)N2CCN(CC2)CCC(C)NC(=O)C3CCC(=O)NN3

DOS

IR

Vibrations