Geometry & MOs

Info

ID:	243942
PubChem CID:	99302935
Reduced:	N3O5C21H29 (1)
Stoich.:	A3B5C21D29 (1)
Weight, g/mol:	430.232853
ΔH_f, kcal/mol:	-120.36
Dipole, Da:	8.07
IP(EA), eV:	-8.62(-1.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 3-[[(2S)-1-ethylpyrrolidin-2-yl]methyl-[5-methyl-1-(6-oxo-1H-pyridazin-3-yl)pyrazole-4-carbonyl]amino]propanoate

Drug info:

PubChemData

Smile

CCN1CCC[C@H]1CN(CCC(=O)OCC)C(=O)/C=C/C2=CC=C(C=C2)[N+](=O)[O-]

DOS

IR

Vibrations