Geometry & MOs

Info

ID:	163192
PubChem CID:	57654450
Reduced:	NC9H13 (1)
Stoich.:	AB9C13 (1)
Weight, g/mol:	245.148789
ΔH_f, kcal/mol:	50.88
Dipole, Da:	3.04
IP(EA), eV:	-8.82(-0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N'-[[(2R,3S,4S,5R)-5-[(diaminomethylideneamino)methyl]-3,4-dihydroxyoxolan-2-yl]methyl]ethanimidamide

Drug info:

PubChemData

Smile

[CH2+]CC1=CC=C(C=C1)C[NH3+]

DOS

IR

Vibrations