Geometry & MOs

Info

ID:	207039
PubChem CID:	80336902
Reduced:	NSO5H13C14 (1)
Stoich.:	ABC5D13E14 (1)
Weight, g/mol:	266.13789
ΔH_f, kcal/mol:	-150.7
Dipole, Da:	7.56
IP(EA), eV:	-8.98(-1.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[6-(dimethylcarbamoyl)pyridazin-3-yl]amino]pentanoic acid

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)C(=O)O)NCC2=CC(=CS2)C(=O)O

DOS

IR

Vibrations