Geometry & MOs

Info

ID:	44325
PubChem CID:	10502768
Reduced:	SiN2O7C19H34 (1)
Stoich.:	AB2C7D19E34 (1)
Weight, g/mol:	430.250795
ΔH_f, kcal/mol:	-380.4
Dipole, Da:	6.45
IP(EA), eV:	-9.05(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 4-[(Z)-2-[3-(1-adamantyl)-4-methoxyphenyl]prop-1-enyl]benzoate

Drug info:

PubChemData

Smile

CC1=CN(C(=O)NC1=O)[C@H]2C[C@]([C@H](O2)CO)(COCCO[Si](C)(C)C(C)(C)C)O

DOS

IR

Vibrations