Geometry & MOs

Info

ID:	228960
PubChem CID:	87566436
Reduced:	NO2C21H23 (1)
Stoich.:	AB2C21D23 (1)
Weight, g/mol:	278.178299
ΔH_f, kcal/mol:	1.96
Dipole, Da:	6.78
IP(EA), eV:	-8.86(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-N-(1-naphthalen-1-ylethyl)hept-2-en-4-yne-1,7-diamine

Drug info:

PubChemData

Smile

CC(C1=CC=CC2=CC=CC=C21)NC/C=C/C#CC(C)(C)C(=O)O

DOS

IR

Vibrations