Geometry & MOs

Info

ID:	180027
PubChem CID:	76568645
Reduced:	O6N7C24H37 (1)
Stoich.:	A6B7C24D37 (1)
Weight, g/mol:	470.167808
ΔH_f, kcal/mol:	-207.81
Dipole, Da:	7.26
IP(EA), eV:	-10.16(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-amino-N-[4-[1-methyl-2-[3-(trifluoromethyl)anilino]benzimidazol-5-yl]oxypyridin-2-yl]propanamide

Drug info:

PubChemData

Smile

CC1=NN=NN1C2CC(N(C2)C(=O)C(C(C)(C)C)NC(=O)OC(C)(C)C)C(=O)NC3(CC3C=C)C(=O)O

DOS

IR

Vibrations