Geometry & MOs

Info

ID:	447654
PubChem CID:	135284491
Reduced:	FON4C19H23 (1)
Stoich.:	ABC4D19E23 (1)
Weight, g/mol:	461.208134
ΔH_f, kcal/mol:	-9.64
Dipole, Da:	3.53
IP(EA), eV:	-9.03(-1.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[5-[2-chloro-4-[2-(oxan-3-ylamino)pyridin-4-yl]phenoxy]-2,4-dimethylpentan-2-yl]carbamic acid

Drug info:

PubChemData

Smile

C[C@@H](CC(C)(C)N)COC1=C(C=C(C=C1)C2=CC=NC3=CC=NN23)F

DOS

IR

Vibrations