Geometry & MOs

Info

ID:	438013
PubChem CID:	135227525
Reduced:	NH19C22 (1)
Stoich.:	AB19C22 (1)
Weight, g/mol:	313.18305
ΔH_f, kcal/mol:	137.07
Dipole, Da:	1.62
IP(EA), eV:	-8.21(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-ethenyl-N-[(2E,4Z)-hepta-2,4-dien-6-yn-3-yl]-N-methyl-3-[(Z)-prop-1-enyl]naphthalen-2-amine

Drug info:

PubChemData

Smile

C/C=C(\C=C/C#C)/N(C)C1=CC2=CC=CC=C2C3=CC=CC=C31

DOS

IR

Vibrations