Geometry & MOs

Info

ID:	48874
PubChem CID:	11528425
Reduced:	O3C9H16 (1)
Stoich.:	A3B9C16 (1)
Weight, g/mol:	172.109944
ΔH_f, kcal/mol:	-123.98
Dipole, Da:	2.01
IP(EA), eV:	-10.37(0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl (E)-4-(hydroxymethyl)hex-4-enoate

Drug info:

PubChemData

Smile

CCOC(=O)[C@H]1[C@H](O1)CC(C)C

DOS

IR

Vibrations