Geometry & MOs

Info

ID:	209573
PubChem CID:	80688727
Reduced:	N3O3C11H15 (1)
Stoich.:	A3B3C11D15 (1)
Weight, g/mol:	268.189926
ΔH_f, kcal/mol:	-77.29
Dipole, Da:	9.45
IP(EA), eV:	-9.58(-0.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3-methoxypropyl)-2-[2-(1-methylpyrazol-4-yl)ethylamino]propanamide

Drug info:

PubChemData

Smile

CN1C=C(C=N1)CCNC(=O)C2(CC2)C(=O)O

DOS

IR

Vibrations