Geometry & MOs

Info

ID:	228604
PubChem CID:	87565402
Reduced:	ON2C18H18 (1)
Stoich.:	AB2C18D18 (1)
Weight, g/mol:	264.162649
ΔH_f, kcal/mol:	49.63
Dipole, Da:	6.09
IP(EA), eV:	-9.06(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-N-(1-naphthalen-1-ylethyl)hex-2-en-4-yne-1,6-diamine

Drug info:

PubChemData

Smile

CC(C1=CC=CC2=CC=CC=C21)NCC=CC#CC(=O)N

DOS

IR

Vibrations