Geometry & MOs

Info

ID:	20337
PubChem CID:	583203
Reduced:	O3C26H42 (1)
Stoich.:	A3B26C42 (1)
Weight, g/mol:	402.313395
ΔH_f, kcal/mol:	-196.2
Dipole, Da:	3.6
IP(EA), eV:	-9.46(0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 13-hydroxy-4,8-dimethyl-4-(6-methylheptan-2-yl)tetracyclo[7.5.0.01,5.08,12]tetradec-5-ene-12-carboxylate

Drug info:

PubChemData

Smile

CC(C)CCCC(C)C1(CCC23C1=CCC4(C2CCC4(C(C3)O)C(=O)OC)C)C

DOS

IR

Vibrations