Geometry & MOs

Info

ID:	74117
PubChem CID:	48421482
Reduced:	O3N4C14H22 (1)
Stoich.:	A3B4C14D22 (1)
Weight, g/mol:	323.159354
ΔH_f, kcal/mol:	-88.18
Dipole, Da:	2.59
IP(EA), eV:	-8.58(0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 3-[[1-(2-amino-2-oxoethyl)pyrazol-4-yl]carbamoyl-cyclopropylamino]propanoate

Drug info:

PubChemData

Smile

CCN1C=C(C=N1)NC(=O)N(CCC(=O)OCC)C2CC2

DOS

IR

Vibrations