Geometry & MOs

Info

ID:	435636
PubChem CID:	135192018
Reduced:	ON4C9H14 (1)
Stoich.:	AB4C9D14 (1)
Weight, g/mol:	235.11209
ΔH_f, kcal/mol:	-16.72
Dipole, Da:	4.34
IP(EA), eV:	-9.21(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[C-[(3-fluorophenyl)methyl]-N-methylcarbonimidoyl]amino]prop-2-enamide

Drug info:

PubChemData

Smile

CCCNC1=NC(=NC=C1NC=O)C

DOS

IR

Vibrations