Geometry & MOs

Info

ID:	187982
PubChem CID:	77650201
Reduced:	OSN3C16H17 (1)
Stoich.:	ABC3D16E17 (1)
Weight, g/mol:	435.277344
ΔH_f, kcal/mol:	14.11
Dipole, Da:	4.23
IP(EA), eV:	-9.18(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-phenyl-3-pyrrolidin-1-ylbutyl) 2-cyclohexyl-2-hydroxy-2-phenylacetate

Drug info:

PubChemData

Smile

CC1=C(SC2C1C(=O)NC(N2)CCC3=CC=CC=C3)C#N

DOS

IR

Vibrations