Geometry & MOs

Info

ID:	448296
PubChem CID:	135289976
Reduced:	N2O4H20C21 (1)
Stoich.:	A2B4C20D21 (1)
Weight, g/mol:	418.152872
ΔH_f, kcal/mol:	-50.41
Dipole, Da:	3.93
IP(EA), eV:	-9.08(-1.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[3-[3-methoxy-4-(2-pyridin-3-ylethoxy)phenyl]prop-2-enoylamino]benzoic acid

Drug info:

PubChemData

Smile

COC1=C(C=CC(=C1)C=CC(=O)NC2=CC=CC=C2C(=O)O)CNCC#C

DOS

IR

Vibrations