Geometry & MOs

Info

ID:	312219
PubChem CID:	126603648
Reduced:	NC8H8 (2)
Stoich.:	AB8C8 (2)
Weight, g/mol:	449.180936
ΔH_f, kcal/mol:	59.32
Dipole, Da:	2.34
IP(EA), eV:	-7.95(0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[5-amino-2-(2,6-difluorophenyl)-1,3-thiazol-4-yl]-[[1-methyl-5-(6-methyl-1,4-diazepan-1-yl)pyrazol-4-yl]amino]methanol

Drug info:

PubChemData

Smile

CC1C=CC2=CC=CC=C2N1C3=CC=CC=C3N

DOS

IR

Vibrations