Geometry & MOs

Info

ID:	152076
PubChem CID:	56310928
Reduced:	N5O5C24H33 (1)
Stoich.:	A5B5C24D33 (1)
Weight, g/mol:	465.217618
ΔH_f, kcal/mol:	-183.15
Dipole, Da:	5.26
IP(EA), eV:	-8.54(-0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-[4-[2-[[2-(4-fluorophenyl)-5-methylpyrazol-3-yl]amino]-2-oxoethyl]-3-methylpiperazin-1-yl]benzoate

Drug info:

PubChemData

Smile

CC1CN(CCN1CCC(=O)NN2C(=O)C3(CCCCC3)NC2=O)C4=CC=C(C=C4)C(=O)OC

DOS

IR

Vibrations