Geometry & MOs

Info

ID:	343572
PubChem CID:	127266745
Reduced:	FO2N5C16H16 (1)
Stoich.:	AB2C5D16E16 (1)
Weight, g/mol:	311.130363
ΔH_f, kcal/mol:	-31.22
Dipole, Da:	3.12
IP(EA), eV:	-9.35(-1.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[5-cyano-2-(3-propan-2-yloxypropylamino)phenyl]methanesulfonamide

Drug info:

PubChemData

Smile

CCOC(=O)C1=CN(C=N1)CCNC2=NC3=CC=CC=C3N=C2F

DOS

IR

Vibrations