Geometry & MOs

Info

ID:	390832
PubChem CID:	135001165
Reduced:	NO4C13H25 (1)
Stoich.:	AB4C13D25 (1)
Weight, g/mol:	182.167065
ΔH_f, kcal/mol:	-228.16
Dipole, Da:	4.17
IP(EA), eV:	-9.9(0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E,3S)-4-ethenyl-2,6,6-trimethylhept-4-en-3-ol

Drug info:

PubChemData

Smile

CCC(=O)[C@H](C)[C@H]([C@H](C)NC(=O)OC(C)(C)C)O

DOS

IR

Vibrations