Geometry & MOs

Info

ID:	204910
PubChem CID:	80028427
Reduced:	OF3N4H9C11 (1)
Stoich.:	AB3C4D9E11 (1)
Weight, g/mol:	207.100777
ΔH_f, kcal/mol:	-145.38
Dipole, Da:	1.94
IP(EA), eV:	-9.1(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-amino-4-(1,3-dihydroxypropan-2-ylamino)benzonitrile

Drug info:

PubChemData

Smile

C1=CC(=C(C(=C1)C(F)(F)F)N)C(=O)NC2=NC=CN2

DOS

IR

Vibrations