Geometry & MOs

Info

ID:	432525
PubChem CID:	135172658
Reduced:	O4C19H26 (1)
Stoich.:	A4B19C26 (1)
Weight, g/mol:	388.188589
ΔH_f, kcal/mol:	-163.73
Dipole, Da:	7.42
IP(EA), eV:	-9.23(-0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethoxycarbonyl 5-(1-adamantyl)-2,4-dimethoxybenzoate

Drug info:

PubChemData

Smile

CO/C(=C\C(=O)O)/C=C(\C(=C)C12CC3CC(C1)CC(C3)C2)/OC

DOS

IR

Vibrations