Geometry & MOs

Info

ID:	255573
PubChem CID:	103133103
Reduced:	NO2C17H27 (1)
Stoich.:	AB2C17D27 (1)
Weight, g/mol:	181.121512
ΔH_f, kcal/mol:	-91.14
Dipole, Da:	3.61
IP(EA), eV:	-8.73(0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(ethylamino)-1-(1-methylpyrazol-3-yl)propan-1-one

Drug info:

PubChemData

Smile

CC1CCC(O1)COC2=CC=CC=C2CNCC(C)C

DOS

IR

Vibrations