Geometry & MOs

Info

ID:	49147
PubChem CID:	11528761
Reduced:	OSN2C12H12 (1)
Stoich.:	ABC2D12E12 (1)
Weight, g/mol:	232.125201
ΔH_f, kcal/mol:	25.74
Dipole, Da:	5.43
IP(EA), eV:	-8.89(-0.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(E)-2-methyl-3-phenylpent-2-en-4-ynyl]benzene

Drug info:

PubChemData

Smile

CC(=C)C(=O)NCC1=CC=C(C=C1)N=C=S

DOS

IR

Vibrations