Geometry & MOs

Info

ID:	343570
PubChem CID:	127266743
Reduced:	FN5C18H20 (1)
Stoich.:	AB5C18D20 (1)
Weight, g/mol:	312.132136
ΔH_f, kcal/mol:	46.38
Dipole, Da:	6.81
IP(EA), eV:	-8.83(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-[3-(2-methoxyethoxy)propylamino]-3-nitrobenzoate

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1F)N2CCCC(C2)C3=NN=C4N3CCC4)C#N

DOS

IR

Vibrations