Geometry & MOs

Info

ID:	199531
PubChem CID:	79262566
Reduced:	ClNO5C14H14 (1)
Stoich.:	ABC5D14E14 (1)
Weight, g/mol:	346.06808
ΔH_f, kcal/mol:	-163.82
Dipole, Da:	5.2
IP(EA), eV:	-9.39(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[3-bromo-2-[(6-methylpyridin-2-yl)methoxy]phenyl]methyl]cyclopropanamine

Drug info:

PubChemData

Smile

C=CCN(CC(=O)O)C(=O)C1=CC2=C(C(=C1)Cl)OCCO2

DOS

IR

Vibrations