Geometry & MOs

Info

ID:	183408
PubChem CID:	77019177
Reduced:	O2N4C13H18 (1)
Stoich.:	A2B4C13D18 (1)
Weight, g/mol:	344.02594
ΔH_f, kcal/mol:	-73.93
Dipole, Da:	6.42
IP(EA), eV:	-8.63(-0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[3-bromo-5-methoxy-4-(1-methoxypropan-2-yloxy)phenyl]prop-2-enoic acid

Drug info:

PubChemData

Smile

CCCN1CCC(=O)N(C1=O)CC2=C(N=CC=C2)N

DOS

IR

Vibrations