Geometry & MOs

Info

ID:	149584
PubChem CID:	53789258
Reduced:	SN2O2H8C9 (1)
Stoich.:	AB2C2D8E9 (1)
Weight, g/mol:	281.177964
ΔH_f, kcal/mol:	-37.86
Dipole, Da:	0.85
IP(EA), eV:	-8.87(-0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-methylpropyl)-9-phenylnona-2,8-dien-6-ynamide

Drug info:

PubChemData

Smile

COC(=O)NC1=C2C(=CC=C1)SC=N2

DOS

IR

Vibrations