Geometry & MOs

Info

ID:	143279
PubChem CID:	53178553
Reduced:	O2N6H20C21 (1)
Stoich.:	A2B6C20D21 (1)
Weight, g/mol:	404.159689
ΔH_f, kcal/mol:	73.3
Dipole, Da:	4.87
IP(EA), eV:	-9.38(-1.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(3-methoxyphenyl)methyl]-5-methyl-1-[5-(3-methyl-1,2,4-oxadiazol-5-yl)pyridin-2-yl]pyrazole-4-carboxamide

Drug info:

PubChemData

Smile

CC(C)CNC(=O)C1=CN(C=N1)C2=C(C=CC=N2)C3=NC(=NO3)C4=CC=CC=C4

DOS

IR

Vibrations