Geometry & MOs

Info

ID:	169268
PubChem CID:	75083047
Reduced:	SN4O9C31H44 (1)
Stoich.:	AB4C9D31E44 (1)
Weight, g/mol:	415.237211
ΔH_f, kcal/mol:	-342.06
Dipole, Da:	5.06
IP(EA), eV:	-8.43(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-tert-butylphenyl)-3-[3-(4-pyridin-4-ylpyrazolidin-3-yl)phenyl]urea

Drug info:

PubChemData

Smile

CC1CCCCOC(C(CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)NC3=CC4=C(C=C3)OCO4)C(C)CO)C)CN(C)S(=O)(=O)C

DOS

IR

Vibrations