Geometry & MOs

Info

ID:	382222
PubChem CID:	134973227
Reduced:	NOH15C19 (1)
Stoich.:	ABC15D19 (1)
Weight, g/mol:	182.13068
ΔH_f, kcal/mol:	34.93
Dipole, Da:	3.45
IP(EA), eV:	-8.45(-1.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2S)-2-[(2E)-6-methylhepta-2,5-dienyl]oxiran-2-yl]methanol

Drug info:

PubChemData

Smile

C1=CC2=C3C(=C1)C=CC4=C(C=CC(=C43)C=C2)CNCC=O

DOS

IR

Vibrations