Geometry & MOs

Info

ID:	217930
PubChem CID:	85088604
Reduced:	O6C23H40 (1)
Stoich.:	A6B23C40 (1)
Weight, g/mol:	412.26136
ΔH_f, kcal/mol:	-320.73
Dipole, Da:	1.31
IP(EA), eV:	-9.95(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2,18-dimethyl-6-propanoyl-7-oxapentacyclo[11.7.0.02,10.04,8.014,18]icosa-4(8),5-dien-17-yl) acetate

Drug info:

PubChemData

Smile

CC1(OCC(O1)CCCCCCCCCC2C(OC(O2)(C)C)C=CC(=O)OC)C

DOS

IR

Vibrations