Geometry & MOs

Info

ID:	308496
PubChem CID:	125333254
Reduced:	O2N5H15C16 (1)
Stoich.:	A2B5C15D16 (1)
Weight, g/mol:	332.137222
ΔH_f, kcal/mol:	46.07
Dipole, Da:	7.13
IP(EA), eV:	-8.97(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl (3S)-3-(2,3-dimethoxyphenyl)-3-(3-methyl-5-oxopyrazol-4-yl)propanoate

Drug info:

PubChemData

Smile

C[C@H]1C2=C(C=C(N=C2ON1)C)C(=O)NC3=NNC4=CC=CC=C43

DOS

IR

Vibrations