Geometry & MOs

Info

ID:	145267
PubChem CID:	53490126
Reduced:	O3N6C26H30 (1)
Stoich.:	A3B6C26D30 (1)
Weight, g/mol:	454.13203
ΔH_f, kcal/mol:	1.28
Dipole, Da:	3.64
IP(EA), eV:	-8.77(-1.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2-chloro-4-fluorophenyl)methyl]-5-methyl-1-[5-(3-propan-2-yl-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)(C)C)C(=O)NCC4=CC=C(C=C4)OC(C)C

DOS

IR

Vibrations