Geometry & MOs

Info

ID:	266575
PubChem CID:	103572332
Reduced:	ON4C13H24 (1)
Stoich.:	AB4C13D24 (1)
Weight, g/mol:	239.163377
ΔH_f, kcal/mol:	-13.37
Dipole, Da:	2.95
IP(EA), eV:	-8.88(0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-(aminomethyl)-3-(1-propylpyrazol-4-yl)propanoate

Drug info:

PubChemData

Smile

CCCN1C=C(C=N1)CN(C)CC2CNCCO2

DOS

IR

Vibrations