Geometry & MOs

Info

ID:	306141
PubChem CID:	125001729
Reduced:	NOC8H11 (3)
Stoich.:	ABC8D11 (3)
Weight, g/mol:	312.161997
ΔH_f, kcal/mol:	-88.68
Dipole, Da:	5.61
IP(EA), eV:	-8.81(0.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N',N'-dimethyl-N-[6-[(2S)-1-methylsulfonylpyrrolidin-2-yl]pyridin-2-yl]ethane-1,2-diamine

Drug info:

PubChemData

Smile

COC1=CC=CC=C1CC2=CN=C(O2)[C@@H]3CCCN(C3)C(=O)CN4CCCCCC4

DOS

IR

Vibrations