Geometry & MOs

Info

ID:	268479
PubChem CID:	103599552
Reduced:	O3N5H19C26 (1)
Stoich.:	A3B5C19D26 (1)
Weight, g/mol:	412.153541
ΔH_f, kcal/mol:	54.07
Dipole, Da:	5.57
IP(EA), eV:	-8.65(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-[(1-benzylpyrazol-4-yl)amino]-1-(furan-2-yl)-3-oxoprop-1-en-2-yl]benzamide

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C(=O)NC(=CC2=CC=CO2)C(=O)NC3=CC=C(C=C3)C4=CN5C=CC=NC5=N4

DOS

IR

Vibrations