Geometry & MOs

Info

ID:	247010
PubChem CID:	103066390
Reduced:	NOBr2C13H17 (1)
Stoich.:	ABC2D13E17 (1)
Weight, g/mol:	295.05718
ΔH_f, kcal/mol:	-6.05
Dipole, Da:	2.67
IP(EA), eV:	-9.16(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-[(2-bromo-4-methylphenoxy)methyl]prop-2-enyl]cyclopropanamine

Drug info:

PubChemData

Smile

CC(C)NCC(=C)COC1=C(C=CC=C1Br)Br

DOS

IR

Vibrations