Geometry & MOs

Info

ID:	272534
PubChem CID:	103744617
Reduced:	O2N3C13H17 (1)
Stoich.:	A2B3C13D17 (1)
Weight, g/mol:	207.11201
ΔH_f, kcal/mol:	0.24
Dipole, Da:	4.12
IP(EA), eV:	-8.69(-0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(5-methyl-1H-pyrazol-4-yl)methyl]-2-(1,2,4-oxadiazol-5-yl)ethanamine

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)CNCCC2=NC=NO2)OC

DOS

IR

Vibrations