Geometry & MOs

Info

ID:	226814
PubChem CID:	87558464
Reduced:	NOH3C4 (2)
Stoich.:	ABC3D4 (2)
Weight, g/mol:	218.188195
ΔH_f, kcal/mol:	11.02
Dipole, Da:	4.03
IP(EA), eV:	-10.75(-1.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

but-1-en-2-ol;ethanol;(E)-hex-3-en-1-ol

Drug info:

PubChemData

Smile

CC1=NC(=CC(=N1)C(=O)O)C#C

DOS

IR

Vibrations