Geometry & MOs

Info

ID:	209186
PubChem CID:	80637081
Reduced:	SN3C16H25 (1)
Stoich.:	AB3C16D25 (1)
Weight, g/mol:	279.176919
ΔH_f, kcal/mol:	18.24
Dipole, Da:	2.57
IP(EA), eV:	-8.47(-0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[4,6-dimethyl-2-(thiolan-2-yl)pyrimidin-5-yl]methyl]-2-methylpropan-1-amine

Drug info:

PubChemData

Smile

CC1=C(C(=NC(=N1)C2CCCCS2)C)CCNC3CC3

DOS

IR

Vibrations