Geometry & MOs

Info

ID:	406776
PubChem CID:	135078594
Reduced:	O6C17H28 (1)
Stoich.:	A6B17C28 (1)
Weight, g/mol:	152.035255
ΔH_f, kcal/mol:	-314.97
Dipole, Da:	0.77
IP(EA), eV:	-9.77(-0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1-amino-3-methoxy-3-oxopropylidene)azanium;chloride

Drug info:

PubChemData

Smile

CCC[C@@H]1[C@H](C(=C(OC1O)C)C(=O)OC(C)(C)C)C(=O)OCC

DOS

IR

Vibrations