Geometry & MOs

Info

ID:	145265
PubChem CID:	53490124
Reduced:	O2N6C25H28 (1)
Stoich.:	A2B6C25D28 (1)
Weight, g/mol:	430.211724
ΔH_f, kcal/mol:	47.56
Dipole, Da:	1.4
IP(EA), eV:	-9.47(-1.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C=NN1C2=NC=C(C=C2)C3=NC(=NO3)C(C)(C)C)C(=O)NCCCC4=CC=CC=C4

DOS

IR

Vibrations