Geometry & MOs

Info

ID:	184244
PubChem CID:	77132984
Reduced:	N2O4C32H53 (1)
Stoich.:	A2B4C32D53 (1)
Weight, g/mol:	320.27153
ΔH_f, kcal/mol:	-198.98
Dipole, Da:	4.02
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.754842
Charge, e:	0

Chem-info

IUPAC name:

12-ethyl-2,6-dimethyl-9-propan-2-yltricyclo[8.4.0.05,14]tetradec-11-ene-1,13-diol

Drug info:

PubChemData

Smile

CC(=O)OC12CCC3(CC(CC3C1CCC4C2(CC(C(C4)O)N5CCOCC5)C)[N+]6(CCCC6)CC=C)C

DOS

IR

Vibrations