Geometry & MOs

Info

ID:	5643
PubChem CID:	13430
Reduced:	BrNC11H12 (1)
Stoich.:	ABC11D12 (1)
Weight, g/mol:	237.01531
ΔH_f, kcal/mol:	80.44
Dipole, Da:	1.23
IP(EA), eV:	-9.13(-0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2-bromophenyl)methyl]-N-methylprop-2-yn-1-amine

Drug info:

PubChemData

Smile

CN(CC#C)CC1=CC=CC=C1Br

DOS

IR

Vibrations