Geometry & MOs

Info

ID:	441135
PubChem CID:	135233268
Reduced:	F2O2N5C21H23 (1)
Stoich.:	A2B2C5D21E23 (1)
Weight, g/mol:	383.232125
ΔH_f, kcal/mol:	-52.27
Dipole, Da:	4.21
IP(EA), eV:	-8.23(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-[5-(2,2-dimethylpropylamino)-6-(methylamino)pyridin-2-yl]cyclohex-3-en-1-yl]-1,3-oxazole-5-carboxamide

Drug info:

PubChemData

Smile

CNC1=C(C=CC(=N1)C2=CC3CN(CC3C2)C(=O)C4=NC=CO4)NCC5CC5(F)F

DOS

IR

Vibrations