Geometry & MOs

Info

ID:	181389
PubChem CID:	76740996
Reduced:	ClON4C18H21 (1)
Stoich.:	ABC4D18E21 (1)
Weight, g/mol:	298.06808
ΔH_f, kcal/mol:	4.49
Dipole, Da:	4.98
IP(EA), eV:	-8.76(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-bromo-N-[(2,6-dimethyloxan-4-yl)methyl]pyridin-2-amine

Drug info:

PubChemData

Smile

CNC1=CC=CC(=N1)C2=C(C=NC(=C2)CC(=O)C3CCCNC3)Cl

DOS

IR

Vibrations