Geometry & MOs

Info

ID:	336887
PubChem CID:	127255894
Reduced:	NSO4C12H13 (1)
Stoich.:	ABC4D12E13 (1)
Weight, g/mol:	191.071306
ΔH_f, kcal/mol:	-125.47
Dipole, Da:	3.75
IP(EA), eV:	-9.41(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-4-(cyclopropylmethylamino)but-2-enoic acid;hydrochloride

Drug info:

PubChemData

Smile

C1=CC2=C(C=CC(=C2)CCC(O)S(=O)(=O)O)N=C1

DOS

IR

Vibrations