Geometry & MOs

Info

ID:	199724
PubChem CID:	79287376
Reduced:	N3O3C13H21 (1)
Stoich.:	A3B3C13D21 (1)
Weight, g/mol:	236.127326
ΔH_f, kcal/mol:	-80.33
Dipole, Da:	1.81
IP(EA), eV:	-9.46(0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-(2-methoxyethyl)pyrazol-4-yl]-2-(prop-2-ynylamino)acetamide

Drug info:

PubChemData

Smile

COCC(=O)N1CCC(CC1)NC(=O)CNCC#C

DOS

IR

Vibrations