Geometry & MOs

Info

ID:	438030
PubChem CID:	135227543
Reduced:	NH21C24 (1)
Stoich.:	AB21C24 (1)
Weight, g/mol:	305.120449
ΔH_f, kcal/mol:	107.7
Dipole, Da:	2.16
IP(EA), eV:	-8.17(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-cyclohexa-1,5-dien-3-yn-1-yl-N-methylpyren-4-amine

Drug info:

PubChemData

Smile

C/C=C\1/C=CC2=C3C1=C(C(=CC3=CC=C2)N(C)C4=CC=CC=C4)C=C

DOS

IR

Vibrations