Geometry & MOs

Info

ID:	20319
PubChem CID:	583081
Reduced:	OC7H11 (4)
Stoich.:	AB7C11 (4)
Weight, g/mol:	444.32396
ΔH_f, kcal/mol:	-221.48
Dipole, Da:	1.38
IP(EA), eV:	-9.14(0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

dimethyl 5,8-dimethyl-4-(6-methylheptan-2-yl)tetracyclo[7.5.0.01,5.08,12]tetradec-3-ene-12,13-dicarboxylate

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations