Geometry & MOs

Info

ID:	220652
PubChem CID:	85201033
Reduced:	O4C31H50 (1)
Stoich.:	A4B31C50 (1)
Weight, g/mol:	486.407296
ΔH_f, kcal/mol:	-249.47
Dipole, Da:	2.79
IP(EA), eV:	-9.53(0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3-[5-(6-methoxy-6-methylhept-4-en-2-yl)-4,8-dimethyl-12-propan-2-yl-13-tetracyclo[7.5.0.01,13.04,8]tetradecanyl]propanoate

Drug info:

PubChemData

Smile

CC1(C2CCC3(CC4(CCC5C(C(=O)CCC5(C4CC3C(=O)C2(CCC1OC)C)C)(C)C)C)O)C

DOS

IR

Vibrations