Geometry & MOs

Info

ID:	277269
PubChem CID:	103827569
Reduced:	ON3C16H27 (1)
Stoich.:	AB3C16D27 (1)
Weight, g/mol:	292.172168
ΔH_f, kcal/mol:	-54.94
Dipole, Da:	2.97
IP(EA), eV:	-8.94(-0.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-thiomorpholin-4-ylethyl)-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-amine

Drug info:

PubChemData

Smile

CCC(CC)C(CNC1=NC=NC2=C1CCCCC2)O

DOS

IR

Vibrations