Geometry & MOs

Info

ID:	183809
PubChem CID:	77072651
Reduced:	Cl2N4C15H16 (1)
Stoich.:	A2B4C15D16 (1)
Weight, g/mol:	287.152144
ΔH_f, kcal/mol:	55.07
Dipole, Da:	2.29
IP(EA), eV:	-8.79(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[2-methyl-3-(3-methylpiperidine-1-carbonyl)phenyl]prop-2-enoic acid

Drug info:

PubChemData

Smile

CC1=CC(=CN=C1)C2C(C(NN2)N)C3=C(C=C(C=C3)Cl)Cl

DOS

IR

Vibrations