Geometry & MOs

Info

ID:	401017
PubChem CID:	135049788
Reduced:	OC10H12 (2)
Stoich.:	AB10C12 (2)
Weight, g/mol:	343.191245
ΔH_f, kcal/mol:	-34.64
Dipole, Da:	1.97
IP(EA), eV:	-9.05(0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-[(4R)-1,10,10-trimethyl-5-(2-methylpropyl)-4-oxo-3-oxa-5-aza-4lambda5-phosphatricyclo[5.2.1.02,6]decan-4-yl]acetate

Drug info:

PubChemData

Smile

C[C@@H](/C=C\OC[C@@](C)(C1=CC=CC=C1)OC)C2=CC=CC=C2

DOS

IR

Vibrations