Geometry & MOs

Info

ID:	438040
PubChem CID:	135227553
Reduced:	NH11C13 (1)
Stoich.:	AB11C13 (1)
Weight, g/mol:	231.104799
ΔH_f, kcal/mol:	166.31
Dipole, Da:	2.62
IP(EA), eV:	-8.39(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-cyclohexa-1,5-dien-3-yn-1-yl-N-methylnaphthalen-1-amine

Drug info:

PubChemData

Smile

CN(C1=CC=CC=C1)C2=CC#CC=C2

DOS

IR

Vibrations