Geometry & MOs

Info

ID:	359547
PubChem CID:	127298821
Reduced:	NSO3C12H21 (1)
Stoich.:	ABC3D12E21 (1)
Weight, g/mol:	303.242296
ΔH_f, kcal/mol:	-158.77
Dipole, Da:	6.33
IP(EA), eV:	-9.62(0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[2-[(cycloheptylamino)methyl]pyrrolidin-1-yl]-N-methylpyrimidin-4-amine

Drug info:

PubChemData

Smile

CCC1CCCCN1C(=O)C2CCS(=O)(=O)C2

DOS

IR

Vibrations