Geometry & MOs

Info

ID:	419689
PubChem CID:	135108704
Reduced:	N2O3C19H22 (1)
Stoich.:	A2B3C19D22 (1)
Weight, g/mol:	315.169525
ΔH_f, kcal/mol:	-83.41
Dipole, Da:	4.69
IP(EA), eV:	-8.94(-0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(3,5-dimethylpyrazol-1-yl)-N-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl]-N-methylpropan-1-amine

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)CC(=O)N[C@@H]2COC[C@H]2CC3=CC=NC=C3

DOS

IR

Vibrations