Geometry & MOs

Info

ID:	182809
PubChem CID:	76939669
Reduced:	N2O3C14H18 (1)
Stoich.:	A2B3C14D18 (1)
Weight, g/mol:	249.100108
ΔH_f, kcal/mol:	-98.59
Dipole, Da:	8.56
IP(EA), eV:	-8.19(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[4-[3-(methylamino)-3-oxopropoxy]phenyl]prop-2-enoic acid

Drug info:

PubChemData

Smile

CC1=CC(=C2NC(CC(=O)N2)COC)C=C(C1=O)C

DOS

IR

Vibrations