Geometry & MOs

Info

ID:	151326
PubChem CID:	53801073
Reduced:	OC4H6 (3)
Stoich.:	AB4C6 (3)
Weight, g/mol:	169.097703
ΔH_f, kcal/mol:	-152.39
Dipole, Da:	3.49
IP(EA), eV:	-10.12(0.07)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

N-(hydroxymethyl)-3-(2-methylprop-2-enoylamino)propanenitrilium

Drug info:

PubChemData

Smile

CCOC(=O)C1=C(CC(=O)CC1(C)C)C

DOS

IR

Vibrations