Geometry & MOs

Info

ID:	255608
PubChem CID:	103133352
Reduced:	ON2C14H16 (1)
Stoich.:	AB2C14D16 (1)
Weight, g/mol:	183.100777
ΔH_f, kcal/mol:	1.69
Dipole, Da:	4.81
IP(EA), eV:	-9.41(-1.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2-aminoethoxy)-1-(1-methylpyrazol-3-yl)ethanone

Drug info:

PubChemData

Smile

CCC(C)(C(=O)C1=CC=CC2=C1C=NC=C2)N

DOS

IR

Vibrations