Geometry & MOs

Info

ID:	43821
PubChem CID:	10321835
Reduced:	O2C15H16 (2)
Stoich.:	A2B15C16 (2)
Weight, g/mol:	456.23006
ΔH_f, kcal/mol:	-154.26
Dipole, Da:	5.9
IP(EA), eV:	-8.25(-1.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 1-[(3S,4R)-4-hydroxy-3-[(4-phenylphenyl)methyl]-3,4-dihydro-2H-chromen-7-yl]cyclopentane-1-carboxylate

Drug info:

PubChemData

Smile

CC1=CC2=C(C3=CC4=C(C=C3CC2C(C)C)C5=C(C=C(C=C5O)C)C(=O)C4(C(C)C)O)C(=C1)O

DOS

IR

Vibrations