Geometry & MOs

Info

ID:	199530
PubChem CID:	79262151
Reduced:	N5C16H27 (1)
Stoich.:	A5B16C27 (1)
Weight, g/mol:	311.05605
ΔH_f, kcal/mol:	30.34
Dipole, Da:	2.53
IP(EA), eV:	-8.52(0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(5-chloro-2,3-dihydro-1,4-benzodioxine-7-carbonyl)-prop-2-enylamino]acetic acid

Drug info:

PubChemData

Smile

C1CCN(CC1)C2CCN(CC2)CC3=NC=CC(=C3)NN

DOS

IR

Vibrations