Geometry & MOs

Info

ID:	49063
PubChem CID:	11528669
Reduced:	N2H14C15 (1)
Stoich.:	A2B14C15 (1)
Weight, g/mol:	222.140851
ΔH_f, kcal/mol:	67.07
Dipole, Da:	3.03
IP(EA), eV:	-7.72(-0.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4,4-dimethylpent-1-yn-3-yl)naphthalene

Drug info:

PubChemData

Smile

CN1C=CC2=C1C=CC(=C2)NC3=CC=CC=C3

DOS

IR

Vibrations