Geometry & MOs

Info

ID:	407262
PubChem CID:	135079687
Reduced:	OSN2C14H14 (1)
Stoich.:	ABC2D14E14 (1)
Weight, g/mol:	359.188529
ΔH_f, kcal/mol:	66.04
Dipole, Da:	2.96
IP(EA), eV:	-9.1(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-benzyl-N-(cyclohexen-1-yl)-3-(2-methoxy-6-methylphenyl)prop-2-ynamide

Drug info:

PubChemData

Smile

CN1C=CC=C1C(=O)N(C)CC#CC2=CC=CS2

DOS

IR

Vibrations