Geometry & MOs

Info

ID:	312175
PubChem CID:	126603454
Reduced:	SN3O4C14H23 (1)
Stoich.:	AB3C4D14E23 (1)
Weight, g/mol:	505.39198
ΔH_f, kcal/mol:	-160.03
Dipole, Da:	4.28
IP(EA), eV:	-9.73(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-propan-2-yloxyphenyl)-4-[(E)-2,5,5-trimethyl-7-[4-[(2-methylpropan-2-yl)oxy]phenyl]hept-6-en-2-yl]piperidine

Drug info:

PubChemData

Smile

CC(C)COC(C)[C@@H](C(=O)O)NC(=O)N(C)CC1=CN=CS1

DOS

IR

Vibrations