Geometry & MOs

Info

ID:	207485
PubChem CID:	80403122
Reduced:	BrOC17H23 (1)
Stoich.:	ABC17D23 (1)
Weight, g/mol:	251.145619
ΔH_f, kcal/mol:	-39.88
Dipole, Da:	3.05
IP(EA), eV:	-8.77(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-methyl-2-propan-2-yl-N-(thiolan-2-ylmethyl)pyrimidin-4-amine

Drug info:

PubChemData

Smile

CCOC1=CC=CC(=C1)C=C(CBr)C2CCCCC2

DOS

IR

Vibrations