Geometry & MOs

Info

ID:	186833
PubChem CID:	77491083
Reduced:	NOC16H21 (2)
Stoich.:	ABC16D21 (2)
Weight, g/mol:	579.210446
ΔH_f, kcal/mol:	-17.75
Dipole, Da:	1.93
IP(EA), eV:	-8.32(0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4,5,6-triacetyloxy-6-[4-cyano-3-[(4-cyclopropylphenyl)methyl]phenyl]-2-(hydroxymethyl)oxan-3-yl] acetate

Drug info:

PubChemData

Smile

CCN(CC1=CC=C(C=C1)CCN(C)CC=C)C2C=C(C=CC2C3CCC4=C(C3)C=CC(=C4)O)OC

DOS

IR

Vibrations