Geometry & MOs

Info

ID:	25914
PubChem CID:	633535
Reduced:	O3C29H46 (1)
Stoich.:	A3B29C46 (1)
Weight, g/mol:	386.214033
ΔH_f, kcal/mol:	-206.78
Dipole, Da:	2.62
IP(EA), eV:	-9.49(0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-(4-acetylpiperazin-1-yl)-8-butyl-3,3-dimethyl-1,4-dihydrothiopyrano[3,4-c]pyridine-5-carbonitrile

Drug info:

PubChemData

Smile

CC1C(OC2C1C3(CCC4C(C3C2)CCC5C4(CCC(C5)OC(=O)C)C)C)CCC(=C)C

DOS

IR

Vibrations