Geometry & MOs

Info

ID:	399118
PubChem CID:	135037926
Reduced:	N2O5C9H16 (1)
Stoich.:	A2B5C9D16 (1)
Weight, g/mol:	154.09938
ΔH_f, kcal/mol:	-226.44
Dipole, Da:	3.87
IP(EA), eV:	-9.88(0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3E,4S)-3-(1-hydroxyethylidene)-4-methylhex-5-en-2-one

Drug info:

PubChemData

Smile

CC1(O[C@H]2[C@@H](O1)O[C@@H]([C@@]2(C(=O)O)N)CN)C

DOS

IR

Vibrations