Geometry & MOs

Info

ID:	49419
PubChem CID:	11532998
Reduced:	ClOSN4H23C26 (1)
Stoich.:	ABCD4E23F26 (1)
Weight, g/mol:	474.207406
ΔH_f, kcal/mol:	94.35
Dipole, Da:	3.98
IP(EA), eV:	-8.56(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-[4-[2-[5-(4-chlorophenyl)pyridin-2-yl]ethynyl]-2-methylphenoxy]ethyl]-4-ethylpiperidin-4-ol

Drug info:

PubChemData

Smile

CC1=C2C=C(C=CC2=NN1)C3=C(N=CC(=C3)OC[C@H](CC4=CC=CC=C4)N)C5=CC=C(S5)Cl

DOS

IR

Vibrations