Geometry & MOs

Info

ID:	50419
PubChem CID:	12012951
Reduced:	O4C27H32 (1)
Stoich.:	A4B27C32 (1)
Weight, g/mol:	320.162374
ΔH_f, kcal/mol:	-40.59
Dipole, Da:	4.6
IP(EA), eV:	-8.24(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCOC(=O)/C=C/C1=CC=C(C2=CC(=CC=C(C2=C1/C=C/C(=O)OCC)C)C(C)C)C

DOS

IR

Vibrations