Geometry & MOs

Info

ID:	186858
PubChem CID:	77496094
Reduced:	N2O6C31H34 (1)
Stoich.:	A2B6C31D34 (1)
Weight, g/mol:	357.187484
ΔH_f, kcal/mol:	-203.31
Dipole, Da:	10.01
IP(EA), eV:	-9.26(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-methyl-4-phenylpiperidin-1-yl)-(5-pyrazolidin-4-yl-2,3-dihydrothiophen-3-yl)methanone

Drug info:

PubChemData

Smile

CC(C)(C)C1=CC=C(C=C1)C2=C3CC4CC5C(C(=O)C4=C(C3=C(C=C2)O)O)C(=O)C(=C(C5N(C)C)O)C(=O)N

DOS

IR

Vibrations