Geometry & MOs

Info

ID:	145131
PubChem CID:	53468464
Reduced:	ClFN3O4C34H43 (1)
Stoich.:	ABC3D4E34F43 (1)
Weight, g/mol:	404.267508
ΔH_f, kcal/mol:	-219.69
Dipole, Da:	5.02
IP(EA), eV:	-9.64(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-O-ethyl 3-O-(5-methyl-2-propan-2-ylcyclohexyl) 4-cyclohexyl-1H-pyrazole-3,5-dicarboxylate

Drug info:

PubChemData

Smile

CC(C)C1CCC2(CC1)N=C(C(=O)N2[C@H](CCC(C)(C)C)C3=CC=C(C=C3)C(=O)NCCC(=O)O)C4=CC(=C(C=C4)F)Cl

DOS

IR

Vibrations