Geometry & MOs

Info

ID:	363902
PubChem CID:	127313559
Reduced:	SN2O3C12H22 (1)
Stoich.:	AB2C3D12E22 (1)
Weight, g/mol:	233.152812
ΔH_f, kcal/mol:	-149.9
Dipole, Da:	4.13
IP(EA), eV:	-9.24(0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3,3-dimethylpiperidin-1-yl)-(4-methylpyrimidin-5-yl)methanone

Drug info:

PubChemData

Smile

CC1(CCCN(C1)C(=O)CN2CCCS2(=O)=O)C

DOS

IR

Vibrations