Geometry & MOs

Info

ID:	182574
PubChem CID:	76908503
Reduced:	FN2O3C15H17 (1)
Stoich.:	AB2C3D15E17 (1)
Weight, g/mol:	275.152144
ΔH_f, kcal/mol:	-141.78
Dipole, Da:	6.35
IP(EA), eV:	-9.12(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[3-[[cyclopropyl(ethyl)amino]methyl]-4-methoxyphenyl]prop-2-enoic acid

Drug info:

PubChemData

Smile

C1CC(N(C1)CC2=C(C=C(C=C2)F)C=CC(=O)O)C(=O)N

DOS

IR

Vibrations