Geometry & MOs

Info

ID:	271561
PubChem CID:	103684093
Reduced:	FO2N3C10H16 (1)
Stoich.:	AB2C3D10E16 (1)
Weight, g/mol:	238.111756
ΔH_f, kcal/mol:	-107.08
Dipole, Da:	3.07
IP(EA), eV:	-9.23(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-fluoro-6-[(4-hydroxy-1-methoxybutan-2-yl)amino]benzonitrile

Drug info:

PubChemData

Smile

CC1=C(C(=NC=N1)NC(CCO)COC)F

DOS

IR

Vibrations