Geometry & MOs

Info

ID:	167817
PubChem CID:	74882871
Reduced:	ON4C16H24 (1)
Stoich.:	AB4C16D24 (1)
Weight, g/mol:	274.168128
ΔH_f, kcal/mol:	-4.01
Dipole, Da:	4.06
IP(EA), eV:	-8.79(0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[4-[4-(dimethylamino)piperidin-1-yl]phenyl]prop-2-enoic acid

Drug info:

PubChemData

Smile

C1CN(CCC1NC(=O)C2CNNC2)CC3=CC=CC=C3

DOS

IR

Vibrations