Geometry & MOs

Info

ID:	306238
PubChem CID:	125003160
Reduced:	O2N4C15H18 (1)
Stoich.:	A2B4C15D18 (1)
Weight, g/mol:	438.183795
ΔH_f, kcal/mol:	-11.68
Dipole, Da:	5.08
IP(EA), eV:	-9.44(-1.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1,4,5,6,7,8-hexahydrocyclohepta[c]pyrazol-3-yl-[(2R)-2-[6-[(4-methyl-1,3-thiazol-2-yl)amino]pyridin-2-yl]morpholin-4-yl]methanone

Drug info:

PubChemData

Smile

C[C@@H](CN(C)C(=O)C1=CC=CC(=N1)C2=CN=CN=C2)OC

DOS

IR

Vibrations