Geometry & MOs

Info

ID:	126276
PubChem CID:	50958012
Reduced:	O2N4C19H22 (1)
Stoich.:	A2B4C19D22 (1)
Weight, g/mol:	328.164774
ΔH_f, kcal/mol:	3.65
Dipole, Da:	4.05
IP(EA), eV:	-8.98(-1.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-ethyl-N-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-3-(1-methylpyrrol-2-yl)-1H-pyrazole-5-carboxamide

Drug info:

PubChemData

Smile

CCN(CC1=CC=CC=C1OCC)C(=O)C2=C3N=CC(=CN3N=C2)C

DOS

IR

Vibrations