Geometry & MOs

Info

ID:	411529
PubChem CID:	135084361
Reduced:	OC15H18 (1)
Stoich.:	AB15C18 (1)
Weight, g/mol:	211.04557
ΔH_f, kcal/mol:	-32.57
Dipole, Da:	2.89
IP(EA), eV:	-9.22(0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-phenyl-1-thiophen-2-ylprop-2-yn-1-imine

Drug info:

PubChemData

Smile

CC(=CCC1CC2=CC=CC=C2CC1=O)C

DOS

IR

Vibrations