Geometry & MOs

Info

ID:	183450
PubChem CID:	77022674
Reduced:	NO2C13H21 (1)
Stoich.:	AB2C13D21 (1)
Weight, g/mol:	271.157229
ΔH_f, kcal/mol:	-58.58
Dipole, Da:	3.79
IP(EA), eV:	-9.16(-0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[2-[bis(cyclopropylmethyl)amino]phenyl]prop-2-enoic acid

Drug info:

PubChemData

Smile

CC(=CC(=O)O)CN(CC1CC1)CC2CC2

DOS

IR

Vibrations