Geometry & MOs

Info

ID:	143280
PubChem CID:	53179094
Reduced:	O3N6H20C21 (1)
Stoich.:	A3B6C20D21 (1)
Weight, g/mol:	404.159689
ΔH_f, kcal/mol:	34.56
Dipole, Da:	2.34
IP(EA), eV:	-8.92(-1.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C=NN1C2=NC=C(C=C2)C3=NC(=NO3)C)C(=O)NCC4=CC(=CC=C4)OC

DOS

IR

Vibrations