Geometry & MOs

Info

ID:	243934
PubChem CID:	99302895
Reduced:	F3N3O4C19H30 (1)
Stoich.:	A3B3C4D19E30 (1)
Weight, g/mol:	432.192818
ΔH_f, kcal/mol:	-360.63
Dipole, Da:	8.36
IP(EA), eV:	-8.7(0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 3-[[3-(4-chlorophenyl)-1H-pyrazole-5-carbonyl]-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]amino]propanoate

Drug info:

PubChemData

Smile

CCN1CCC[C@H]1CN(CCC(=O)OCC)C(=O)[C@@H]2CC(=O)N(C2)CC(F)(F)F

DOS

IR

Vibrations