Geometry & MOs

Info

ID:	50420
PubChem CID:	12012953
Reduced:	O5C18H24 (1)
Stoich.:	A5B18C24 (1)
Weight, g/mol:	362.172939
ΔH_f, kcal/mol:	-187.07
Dipole, Da:	1.24
IP(EA), eV:	-8.32(-0.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (E)-3-[(5R,6R)-6-acetyloxy-2,3-dimethoxy-5-methyl-6,7,8,9-tetrahydrobenzo[7]annulen-5-yl]prop-2-enoate

Drug info:

PubChemData

Smile

C[C@@]1([C@@H](CCCC2=CC(=C(C=C21)OC)OC)O)/C=C/C(=O)OC

DOS

IR

Vibrations