Geometry & MOs

Info

ID:	382972
PubChem CID:	134974430
Reduced:	O4C17H30 (1)
Stoich.:	A4B17C30 (1)
Weight, g/mol:	200.141244
ΔH_f, kcal/mol:	-188.5
Dipole, Da:	3.55
IP(EA), eV:	-9.74(-0.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E,4S,5R,6S)-7-hydroxy-5-methoxy-2,4,6-trimethylhept-2-enal

Drug info:

PubChemData

Smile

C[C@@H](CO)[C@@H]([C@@H](C)/C=C(\C)/[C@H]([C@H](C)/C=C/C(=O)C)O)OC

DOS

IR

Vibrations