Geometry & MOs

Info

ID:	182595
PubChem CID:	76911481
Reduced:	ClN3O3C13H18 (1)
Stoich.:	AB3C3D13E18 (1)
Weight, g/mol:	289.204179
ΔH_f, kcal/mol:	-94.18
Dipole, Da:	3.36
IP(EA), eV:	-9.13(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[3-[[pentyl(propan-2-yl)amino]methyl]phenyl]prop-2-enoic acid

Drug info:

PubChemData

Smile

CC(C)N(CCC(=NO)N)C(=O)C1=C(C=C(C=C1)Cl)O

DOS

IR

Vibrations