Geometry & MOs

Info

ID:	258429
PubChem CID:	103153864
Reduced:	N3O5C11H15 (1)
Stoich.:	A3B5C11D15 (1)
Weight, g/mol:	279.083076
ΔH_f, kcal/mol:	-124.63
Dipole, Da:	8.16
IP(EA), eV:	-9.59(-1.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-methoxy-4-[[6-(trifluoromethyl)pyridazin-3-yl]amino]butanoic acid

Drug info:

PubChemData

Smile

CC1=C(C(=NC=C1)NCC(CC(=O)O)OC)[N+](=O)[O-]

DOS

IR

Vibrations