Geometry & MOs

Info

ID:	243930
PubChem CID:	99302869
Reduced:	ClO3N4C22H25 (1)
Stoich.:	AB3C4D22E25 (1)
Weight, g/mol:	432.192818
ΔH_f, kcal/mol:	-69.66
Dipole, Da:	1.68
IP(EA), eV:	-8.64(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1COCCN1CC2=NC3=C(N2)C=C(C=C3)NC(=O)CCCOC4=CC=CC=C4Cl

DOS

IR

Vibrations