Geometry & MOs

Info

ID:	363974
PubChem CID:	127313643
Reduced:	NSO2C15H21 (1)
Stoich.:	ABC2D15E21 (1)
Weight, g/mol:	241.150036
ΔH_f, kcal/mol:	-85.39
Dipole, Da:	2.78
IP(EA), eV:	-9.13(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3,3-dimethylpiperidin-1-yl)-(thian-4-yl)methanone

Drug info:

PubChemData

Smile

CC1(CCCN(C1)C(=O)C2=CC3=C(S2)CCOC3)C

DOS

IR

Vibrations