Geometry & MOs

Info

ID:	247026
PubChem CID:	103066587
Reduced:	BrNOC13H18 (1)
Stoich.:	ABCD13E18 (1)
Weight, g/mol:	239.107692
ΔH_f, kcal/mol:	-13.87
Dipole, Da:	4.22
IP(EA), eV:	-8.85(-0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(2-chlorophenoxy)methyl]-N-propan-2-ylprop-2-en-1-amine

Drug info:

PubChemData

Smile

CC(C)NCC(=C)COC1=CC=C(C=C1)Br

DOS

IR

Vibrations