Geometry & MOs

Info

ID:	393938
PubChem CID:	135022019
Reduced:	NSiO5C23H37 (1)
Stoich.:	ABC5D23E37 (1)
Weight, g/mol:	216.151415
ΔH_f, kcal/mol:	-272.49
Dipole, Da:	1.94
IP(EA), eV:	-8.83(-0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1E,4R,5R)-2,5-dimethyl-1-phenylhepta-1,6-dien-4-ol

Drug info:

PubChemData

Smile

CC1(N(C[C@H](O1)C(/C=C/CO[Si](C)(C)C(C)(C)C)O)C(=O)OCC2=CC=CC=C2)C

DOS

IR

Vibrations