Geometry & MOs

Info

ID:	429527
PubChem CID:	135169576
Reduced:	ClON8H17C20 (1)
Stoich.:	ABC8D17E20 (1)
Weight, g/mol:	469.122255
ΔH_f, kcal/mol:	138.53
Dipole, Da:	6.8
IP(EA), eV:	-8.3(-1.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(1,3-benzoxazol-4-yl)-N-[5-(methylamino)-6-(triazol-2-yl)pyridin-3-yl]-5-(trifluoromethyl)pyrazole-4-carboxamide

Drug info:

PubChemData

Smile

C1C=NN(N1)C2=C(C=C(C=N2)NC(=O)/C(=C/N)/C=NC3=CC=CC4=C3C=CC=N4)Cl

DOS

IR

Vibrations