Geometry & MOs

Info

ID:	330140
PubChem CID:	127247127
Reduced:	O2N3C18H21 (1)
Stoich.:	A2B3C18D21 (1)
Weight, g/mol:	237.147727
ΔH_f, kcal/mol:	-6.48
Dipole, Da:	4.98
IP(EA), eV:	-8.98(-0.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-ethoxy-1-[3-(4-methyl-1H-pyrazol-5-yl)pyrrolidin-1-yl]ethanone

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)C2(CC2)C(=O)N3CCC(C3)C4=CC=NN4

DOS

IR

Vibrations