Geometry & MOs

Info

ID:	68795
PubChem CID:	46509106
Reduced:	O3N4C24H24 (1)
Stoich.:	A3B4C24D24 (1)
Weight, g/mol:	462.169191
ΔH_f, kcal/mol:	-47.16
Dipole, Da:	1.65
IP(EA), eV:	-8.96(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-benzyl-N-[3-(furan-2-carbonylamino)phenyl]-3-phenylpyrazole-4-carboxamide

Drug info:

PubChemData

Smile

COC(=O)C1=CN(C2=CC=CC=C21)CC(=O)N3CCCC(C3)C4=NC5=CC=CC=C5N4

DOS

IR

Vibrations