Geometry & MOs

Info

ID:	138306
PubChem CID:	52343892
Reduced:	O2N3C20H29 (1)
Stoich.:	A2B3C20D29 (1)
Weight, g/mol:	259.181038
ΔH_f, kcal/mol:	-50.77
Dipole, Da:	7.76
IP(EA), eV:	-8.69(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

cyclopropyl-[(3-methylphenyl)methyl]-[2-oxo-2-(prop-2-enylamino)ethyl]azanium

Drug info:

PubChemData

Smile

C1CCN(CC1)C2CCN(CC2)C[C@H](COC3=CC=C(C=C3)C#N)O

DOS

IR

Vibrations