Geometry & MOs

Info

ID:	284832
PubChem CID:	104074466
Reduced:	ON5C10H15 (1)
Stoich.:	AB5C10D15 (1)
Weight, g/mol:	250.111756
ΔH_f, kcal/mol:	18.49
Dipole, Da:	4.57
IP(EA), eV:	-10.41(-0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-cyano-2-methylpropyl)-4-fluoro-3-methoxybenzamide

Drug info:

PubChemData

Smile

CC(C(=O)NCC(C)(C)C#N)N1C=NC=N1

DOS

IR

Vibrations