Geometry & MOs

Info

ID:	218055
PubChem CID:	85088800
Reduced:	N2O4C25H32 (1)
Stoich.:	A2B4C25D32 (1)
Weight, g/mol:	424.274247
ΔH_f, kcal/mol:	-90.36
Dipole, Da:	3.21
IP(EA), eV:	-8.44(0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(7-ethenyl-1,1,4a,7-tetramethyl-3,4,4b,5,6,8,10,10a-octahydro-2H-phenanthren-9-yl) diethyl phosphate

Drug info:

PubChemData

Smile

C1CCC(C1)ON=C2CCC3(C4CC5=C6C3(C2OC6=C(C=C5)O)CCN4CC7CC7)O

DOS

IR

Vibrations