Geometry & MOs

Info

ID:	204978
PubChem CID:	80039016
Reduced:	FIO2N3H7C13 (1)
Stoich.:	ABC2D3E7F13 (1)
Weight, g/mol:	265.06987
ΔH_f, kcal/mol:	53.81
Dipole, Da:	7.57
IP(EA), eV:	-9.29(-1.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-(4-cyano-3-nitroanilino)-3-hydroxypropanoate

Drug info:

PubChemData

Smile

C1=CC(=C(C=C1NC2=C(C=C(C=C2)F)I)[N+](=O)[O-])C#N

DOS

IR

Vibrations