Geometry & MOs

Info

ID:	448317
PubChem CID:	135290085
Reduced:	O2N4H22C23 (1)
Stoich.:	A2B4C22D23 (1)
Weight, g/mol:	253.01023
ΔH_f, kcal/mol:	77.6
Dipole, Da:	3.1
IP(EA), eV:	-8.85(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[3-(bromomethoxy)phenyl]methyl]prop-2-yn-1-amine

Drug info:

PubChemData

Smile

CCC1=C(C=CC(=C1)/C=C/C(=O)NC2=CC=CC=C2N3C=NC(=N3)C)OCC#C

DOS

IR

Vibrations