Geometry & MOs

Info

ID:	49924
PubChem CID:	11538177
Reduced:	NO3C24H31 (1)
Stoich.:	AB3C24D31 (1)
Weight, g/mol:	381.101082
ΔH_f, kcal/mol:	-132.39
Dipole, Da:	6.41
IP(EA), eV:	-9.25(-0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[1-(3,4-dichlorophenyl)-5-methyl-3-(2-pyrrolidin-1-ylethoxy)pyrazol-4-yl]ethanone

Drug info:

PubChemData

Smile

CCCCCCCC(=O)NCC1=CC(=CC=C1)C2=CC=C(C=C2)CCC(=O)O

DOS

IR

Vibrations