Geometry & MOs

Info

ID:	448315
PubChem CID:	135290075
Reduced:	NO3H17C19 (1)
Stoich.:	AB3C17D19 (1)
Weight, g/mol:	383.136887
ΔH_f, kcal/mol:	-2.09
Dipole, Da:	7.05
IP(EA), eV:	-8.59(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[3-[3-methoxy-4-(oxetan-3-ylmethoxy)phenyl]prop-2-enoylamino]benzoic acid

Drug info:

PubChemData

Smile

COC1=C(C=CC(=C1)OCC#C)/C=C/C(=O)NC2=CC=CC=C2

DOS

IR

Vibrations