Geometry & MOs

Info

ID:	181951
PubChem CID:	76819548
Reduced:	ClOSN3C28H36 (1)
Stoich.:	ABCD3E28F36 (1)
Weight, g/mol:	473.316804
ΔH_f, kcal/mol:	-28.89
Dipole, Da:	5.97
IP(EA), eV:	-8.9(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

(2-cyclohexyl-4-phenylpiperidin-1-yl)-(7-methylspiro[2,3-dihydrochromene-4,4'-pyrrolidin-1-ium]-3'-yl)methanone

Drug info:

PubChemData

Smile

C1CCC(CC1)C2CC(CCN2C(=O)C3CNCC34CCCC5=C4SC(=N5)Cl)C6=CC=CC=C6

DOS

IR

Vibrations