Geometry & MOs

Info

ID:	182596
PubChem CID:	76911892
Reduced:	NO2C18H27 (1)
Stoich.:	AB2C18D27 (1)
Weight, g/mol:	273.172879
ΔH_f, kcal/mol:	-78.94
Dipole, Da:	5.67
IP(EA), eV:	-8.82(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[2-[[cyclopropyl(2-methylpropyl)amino]methyl]phenyl]prop-2-enoic acid

Drug info:

PubChemData

Smile

CCCCCN(CC1=CC(=CC=C1)C=CC(=O)O)C(C)C

DOS

IR

Vibrations