Geometry & MOs

Info

ID:	71106
PubChem CID:	48414294
Reduced:	N3O4C22H25 (1)
Stoich.:	A3B4C22D25 (1)
Weight, g/mol:	401.185175
ΔH_f, kcal/mol:	-65.71
Dipole, Da:	3.18
IP(EA), eV:	-8.61(-0.74)
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]-4-(pyrazol-1-ylmethyl)benzamide

Drug info:

PubChemData

Smile

CC(C)C(C1=NC(=NO1)C2=CC=CC=C2)NC(=O)C(C)OC3=CC=C(C=C3)OC

DOS

IR

Vibrations