Geometry & MOs

Info

ID:	155411
PubChem CID:	56355015
Reduced:	N4O4C23H24 (1)
Stoich.:	A4B4C23D24 (1)
Weight, g/mol:	490.211724
ΔH_f, kcal/mol:	-96.33
Dipole, Da:	5.8
IP(EA), eV:	-8.71(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(4-methylpyrazol-1-yl)-N-[[3-[[4-(4-methylpyrazol-1-yl)benzoyl]amino]phenyl]methyl]benzamide

Drug info:

PubChemData

Smile

CCOC1=C(C=CC=N1)C(=O)NCC2=CC(=CC=C2)NC(=O)C3=C(N=CC=C3)OCC

DOS

IR

Vibrations