Geometry & MOs

Info

ID:	184507
PubChem CID:	77170988
Reduced:	O5C23H38 (1)
Stoich.:	A5B23C38 (1)
Weight, g/mol:	541.29768
ΔH_f, kcal/mol:	-198.13
Dipole, Da:	3.27
IP(EA), eV:	-9.88(0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[[2,2-difluoro-1-[2-hydroxy-3-[3-(tetrazolidin-5-yl)cyclohexyl]phenyl]propyl]amino]-2-(3,4-dimethylphenyl)-5-methyl-1H-pyrazol-3-one

Drug info:

PubChemData

Smile

CCC1CC2C1(C(CC(C(C(C(CCC2=O)C)C)O)(C)C=C)OC(=O)CO)C

DOS

IR

Vibrations