Geometry & MOs

Info

ID:	317316
PubChem CID:	126635589
Reduced:	OSN3C25H25 (1)
Stoich.:	ABC3D25E25 (1)
Weight, g/mol:	159.104799
ΔH_f, kcal/mol:	31.85
Dipole, Da:	5.2
IP(EA), eV:	-7.92(-0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-cyclohepta-1,3-dien-5-yn-1-yl-N-ethenylethanamine

Drug info:

PubChemData

Smile

C1CCN(C1)CC2=C(C=CC(=C2)C(=O)NC3=CC4=C(C=C3)SCN4)C5=CC=CC=C5

DOS

IR

Vibrations