Geometry & MOs

Info

ID:	448989
PubChem CID:	135295000
Reduced:	ON2C9H9 (2)
Stoich.:	AB2C9D9 (2)
Weight, g/mol:	436.207468
ΔH_f, kcal/mol:	52.89
Dipole, Da:	3.61
IP(EA), eV:	-9.7(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[1-[(4,4-difluorocyclohexyl)methyl]-6-(3,5-dimethyl-1,2-oxazol-4-yl)indol-3-yl]pyridin-2-amine

Drug info:

PubChemData

Smile

CC1=C(C(=NO1)C)C2=CC3C(CNC3N=C2)C(=O)C4=CN=CC=C4

DOS

IR

Vibrations