Geometry & MOs

Info

ID:	145266
PubChem CID:	53490125
Reduced:	ON3C12H13 (2)
Stoich.:	AB3C12D13 (2)
Weight, g/mol:	474.237939
ΔH_f, kcal/mol:	50.08
Dipole, Da:	5.04
IP(EA), eV:	-9.43(-1.66)
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-[(4-propan-2-yloxyphenyl)methyl]pyrazole-4-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)CNC(=O)C2=C(N(N=C2)C3=NC=C(C=C3)C4=NC(=NO4)C(C)(C)C)C

DOS

IR

Vibrations