Geometry & MOs

Info

ID:	147199
PubChem CID:	53786853
Reduced:	O2C29H48 (1)
Stoich.:	A2B29C48 (1)
Weight, g/mol:	434.209324
ΔH_f, kcal/mol:	-156.76
Dipole, Da:	6.13
IP(EA), eV:	-9.72(0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[3-(1-adamantyl)-4-methoxyphenyl]-2-oxoethyl] 4-methylbenzenecarboperoxoate

Drug info:

PubChemData

Smile

CC[C@H](CC[C@@H](C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CCC4=CC(=O)CC[C@]34C)C)C(C)CO

DOS

IR

Vibrations