Geometry & MOs

Info

ID:	421283
PubChem CID:	135115690
Reduced:	O3N4C20H26 (1)
Stoich.:	A3B4C20D26 (1)
Weight, g/mol:	313.153875
ΔH_f, kcal/mol:	-96.09
Dipole, Da:	9.79
IP(EA), eV:	-8.79(-0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]methyl]-N-methyl-1-(3-pyrazol-1-ylphenyl)methanamine

Drug info:

PubChemData

Smile

CC1=NC=CN1CCCC(=O)N[C@@H]2CCN(C[C@H]2O)C(=O)C3=CC=CC=C3

DOS

IR

Vibrations