Geometry & MOs

Info

ID:	438014
PubChem CID:	135227526
Reduced:	NC23H23 (1)
Stoich.:	AB23C23 (1)
Weight, g/mol:	281.120449
ΔH_f, kcal/mol:	143.73
Dipole, Da:	1.23
IP(EA), eV:	-8.08(-0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-cyclohexa-1,5-dien-3-yn-1-yl-N-methylanthracen-9-amine

Drug info:

PubChemData

Smile

C/C=C\C1=C(C2=CC=CC=C2C=C1N(C)/C(=C/C)/C=C\C#C)C=C

DOS

IR

Vibrations