Geometry & MOs

Info

ID:	191468
PubChem CID:	78149283
Reduced:	NO3C9H13 (2)
Stoich.:	AB3C9D13 (2)
Weight, g/mol:	269.118257
ΔH_f, kcal/mol:	-265.09
Dipole, Da:	6.54
IP(EA), eV:	-9.33(-1.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[4-(diethylaminomethyl)phenyl]prop-2-enoic acid;hydrochloride

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)NC(CC1=CC=CC=C1)CN.C(=CC(=O)O)C(=O)O

DOS

IR

Vibrations