Geometry & MOs

Info

ID:	448377
PubChem CID:	135290478
Reduced:	N2O2H11C12 (2)
Stoich.:	A2B2C11D12 (2)
Weight, g/mol:	407.148121
ΔH_f, kcal/mol:	14.81
Dipole, Da:	4.39
IP(EA), eV:	-8.49(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[(E)-3-[3-methoxy-4-[(1-methylpyrazol-4-yl)methoxy]phenyl]prop-2-enoyl]amino]benzoic acid

Drug info:

PubChemData

Smile

CN1C=CC(=N1)NC(=O)C2=CC=CC=C2NC(=O)C=CC3=CC(=C(C=C3)OCC#C)OC

DOS

IR

Vibrations