Geometry & MOs

Info

ID:	151356
PubChem CID:	53801129
Reduced:	ClN2O2C18H27 (1)
Stoich.:	AB2C2D18E27 (1)
Weight, g/mol:	489.17272
ΔH_f, kcal/mol:	-62.89
Dipole, Da:	7.07
IP(EA), eV:	-8.59(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S,4R)-3-(2,3,4,5,6-pentafluorophenyl)-4-[4-(2-pyrrolidin-1-ylethyl)phenyl]-3,4-dihydro-2H-chromen-6-ol

Drug info:

PubChemData

Smile

CC1C(CCCC(C1NC)CON(C2=CC=CC=C2)C(=O)C)Cl

DOS

IR

Vibrations