Geometry & MOs

Info

ID:	49244
PubChem CID:	11532255
Reduced:	ON8C24H24 (1)
Stoich.:	AB8C24D24 (1)
Weight, g/mol:	440.167083
ΔH_f, kcal/mol:	69.93
Dipole, Da:	6.45
IP(EA), eV:	-8.63(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[5-(3-methyl-2H-indazol-5-yl)-6-thiophen-2-ylpyridin-3-yl]oxy-3-phenylpropan-2-amine

Drug info:

PubChemData

Smile

CC1=C2C(=CC=C1)N=C(N(C2=O)C3=C(C=CC=C3C)C)C(C)NC4=NC(=NC5=C4NC=N5)N

DOS

IR

Vibrations