Geometry & MOs

Info

ID:	182580
PubChem CID:	76909371
Reduced:	FNO2C16H22 (1)
Stoich.:	ABC2D16E22 (1)
Weight, g/mol:	281.141579
ΔH_f, kcal/mol:	-113.92
Dipole, Da:	8.3
IP(EA), eV:	-9.04(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[2-[[benzyl(methyl)amino]methyl]phenyl]prop-2-enoic acid

Drug info:

PubChemData

Smile

CCCN(CCC)CC1=CC(=C(C=C1)F)C=CC(=O)O

DOS

IR

Vibrations