Geometry & MOs

Info

ID:	182578
PubChem CID:	76909369
Reduced:	NO3C16H21 (1)
Stoich.:	AB3C16D21 (1)
Weight, g/mol:	293.142722
ΔH_f, kcal/mol:	-103.08
Dipole, Da:	6.04
IP(EA), eV:	-9.19(-1.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[4-[(2,6-dimethylmorpholin-4-yl)methyl]-3-fluorophenyl]prop-2-enoic acid

Drug info:

PubChemData

Smile

CC1CN(CC(O1)C)CC2=CC=C(C=C2)C=CC(=O)O

DOS

IR

Vibrations