Geometry & MOs

Info

ID:	71124
PubChem CID:	48414325
Reduced:	O3N6C22H22 (1)
Stoich.:	A3B6C22D22 (1)
Weight, g/mol:	353.185175
ΔH_f, kcal/mol:	48.71
Dipole, Da:	5.99
IP(EA), eV:	-9.75(-1.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-methyl-1-(3-phenyl-1,2,4-oxadiazol-5-yl)propyl]-5-propan-2-yl-1H-pyrazole-3-carboxamide

Drug info:

PubChemData

Smile

CC(C)C(C1=NC(=NO1)C2=CC=CC=C2)NC(=O)CCC3=NC(=NO3)C4=CN=CC=C4

DOS

IR

Vibrations