Geometry & MOs

Info

ID:	282372
PubChem CID:	103923654
Reduced:	O2N3C12H21 (1)
Stoich.:	A2B3C12D21 (1)
Weight, g/mol:	227.126991
ΔH_f, kcal/mol:	-91.16
Dipole, Da:	3.35
IP(EA), eV:	-9.65(0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 4-[[[(2S)-1-hydroxypropan-2-yl]amino]methyl]-1H-pyrazole-5-carboxylate

Drug info:

PubChemData

Smile

CC1=C(C(=NN1)C)C(=O)NCCCCCCO

DOS

IR

Vibrations