Geometry & MOs

Info

ID:	205259
PubChem CID:	80076479
Reduced:	FNC11H16 (1)
Stoich.:	ABC11D16 (1)
Weight, g/mol:	226.095357
ΔH_f, kcal/mol:	-51.89
Dipole, Da:	2.88
IP(EA), eV:	-9.24(0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3-hydroxybutan-2-yl)-4-methyl-5-nitropyridin-2-one

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)F)C(C)C(C)N

DOS

IR

Vibrations