Geometry & MOs

Info

ID:	260401
PubChem CID:	103190080
Reduced:	N3C16H29 (1)
Stoich.:	A3B16C29 (1)
Weight, g/mol:	294.174356
ΔH_f, kcal/mol:	6.96
Dipole, Da:	3.17
IP(EA), eV:	-8.17(0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-3-[4-[1-(dimethylamino)propan-2-yl-ethylamino]-3-fluorophenyl]prop-2-enoic acid

Drug info:

PubChemData

Smile

CCN(C1=C(C=C(C=C1)CNC)C)C(C)CN(C)C

DOS

IR

Vibrations