Geometry & MOs

Info

ID:	182568
PubChem CID:	76908367
Reduced:	NO3C16H23 (1)
Stoich.:	AB3C16D23 (1)
Weight, g/mol:	289.167794
ΔH_f, kcal/mol:	-104.61
Dipole, Da:	8.25
IP(EA), eV:	-9.08(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[3-[[cyclopentyl(methyl)amino]methyl]-4-methoxyphenyl]prop-2-enoic acid

Drug info:

PubChemData

Smile

CCCN(CC)CCOC1=CC=C(C=C1)C=CC(=O)O

DOS

IR

Vibrations