Geometry & MOs

Info

ID:	448318
PubChem CID:	135290087
Reduced:	BrNOC11H12 (1)
Stoich.:	ABCD11E12 (1)
Weight, g/mol:	418.152872
ΔH_f, kcal/mol:	33.65
Dipole, Da:	2.34
IP(EA), eV:	-9.19(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[(E)-3-[4-methoxy-3-(2-pyridin-3-ylethoxy)phenyl]prop-2-enoyl]amino]benzoic acid

Drug info:

PubChemData

Smile

C#CCNCC1=CC(=CC=C1)OCBr

DOS

IR

Vibrations