Geometry & MOs

Info

ID:	260402
PubChem CID:	103190090
Reduced:	FN2O2C16H23 (1)
Stoich.:	AB2C2D16E23 (1)
Weight, g/mol:	290.199428
ΔH_f, kcal/mol:	-98.84
Dipole, Da:	8.48
IP(EA), eV:	-8.44(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCN(C1=C(C=C(C=C1)/C=C/C(=O)O)F)C(C)CN(C)C

DOS

IR

Vibrations