Geometry & MOs

Info

ID:	129037
PubChem CID:	51067590
Reduced:	N3O7C31H35 (1)
Stoich.:	A3B7C31D35 (1)
Weight, g/mol:	432.138675
ΔH_f, kcal/mol:	-181.0
Dipole, Da:	3.4
IP(EA), eV:	-8.14(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-tert-butyl-1-[2-[3-(4-chlorophenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-oxoethyl]-1-methylurea

Drug info:

PubChemData

Smile

COCCN(CC(=O)N1C(CC(=N1)C2=CC=C(C=C2)OC)C3=C(C=CC(=C3)OC)OC)C(=O)C4=CC=C(C=C4)OC

DOS

IR

Vibrations