Geometry & MOs

Info

ID:	426800
PubChem CID:	135153905
Reduced:	FSN3H8C11 (1)
Stoich.:	ABC3D8E11 (1)
Weight, g/mol:	302.126657
ΔH_f, kcal/mol:	42.03
Dipole, Da:	3.02
IP(EA), eV:	-9.04(-1.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-(hydroxymethyl)-6-methylpyridin-2-yl]-[(4-methoxyphenyl)methyl]carbamic acid

Drug info:

PubChemData

Smile

C1=CC(=CC(=C1)F)NC(=S)C2=NC=NC=C2

DOS

IR

Vibrations