Geometry & MOs

Info

ID:	258543
PubChem CID:	103154836
Reduced:	O2N6C13H18 (1)
Stoich.:	A2B6C13D18 (1)
Weight, g/mol:	284.117235
ΔH_f, kcal/mol:	7.5
Dipole, Da:	9.13
IP(EA), eV:	-9.4(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-[(4-amino-3-methoxybutanoyl)amino]-4-fluorobenzoate

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)NC(=O)CC(CN)OC)N2C=NN=N2

DOS

IR

Vibrations