Geometry & MOs

Info

ID:	182894
PubChem CID:	76951560
Reduced:	ClO2N3C14H20 (1)
Stoich.:	AB2C3D14E20 (1)
Weight, g/mol:	289.167794
ΔH_f, kcal/mol:	-34.17
Dipole, Da:	4.92
IP(EA), eV:	-8.99(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[2-[[methyl(oxan-4-ylmethyl)amino]methyl]phenyl]prop-2-enoic acid

Drug info:

PubChemData

Smile

CN(CC1CCOCC1)C2=C(C=CC(=C2)Cl)C(=NO)N

DOS

IR

Vibrations