Geometry & MOs

Info

ID:	69251
PubChem CID:	46530525
Reduced:	O4N5H25C26 (1)
Stoich.:	A4B5C25D26 (1)
Weight, g/mol:	431.141596
ΔH_f, kcal/mol:	-45.27
Dipole, Da:	6.42
IP(EA), eV:	-8.69(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-benzyl-N-[4-(methylcarbamoylamino)phenyl]-3-thiophen-2-ylpyrazole-4-carboxamide

Drug info:

PubChemData

Smile

CNC(=O)NC1=CC=C(C=C1)NC(=O)C2=CN(N=C2C3=C(C=C(C=C3)OC)OC)C4=CC=CC=C4

DOS

IR

Vibrations