Geometry & MOs

Info

ID:	399750
PubChem CID:	135042275
Reduced:	OC16H20 (1)
Stoich.:	AB16C20 (1)
Weight, g/mol:	199.1361
ΔH_f, kcal/mol:	-26.88
Dipole, Da:	2.99
IP(EA), eV:	-9.43(0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-phenyloct-2-yn-1-imine

Drug info:

PubChemData

Smile

C1CC2CCC34C=CC(CC3C2C=C1)CC4=O

DOS

IR

Vibrations