Geometry & MOs

Info

ID:	247687
PubChem CID:	103072684
Reduced:	ClFN2O2C15H16 (1)
Stoich.:	ABC2D2E15F16 (1)
Weight, g/mol:	223.095691
ΔH_f, kcal/mol:	-88.44
Dipole, Da:	5.46
IP(EA), eV:	-9.3(-1.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-(aminomethyl)prop-2-enyl]-4-methyl-5-nitropyridin-2-one

Drug info:

PubChemData

Smile

CC(C)NCC(=C)CN1C2=CC(=C(C=C2C(=O)C1=O)Cl)F

DOS

IR

Vibrations