Geometry & MOs

Info

ID:	255562
PubChem CID:	103133001
Reduced:	NO3C17H27 (1)
Stoich.:	AB3C17D27 (1)
Weight, g/mol:	195.137162
ΔH_f, kcal/mol:	-130.47
Dipole, Da:	3.87
IP(EA), eV:	-8.5(0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(1-methylpyrazol-3-yl)-3-(propan-2-ylamino)propan-1-one

Drug info:

PubChemData

Smile

CCCNCC1=C(C=C(C=C1)OC)OCC2CCC(O2)C

DOS

IR

Vibrations