Geometry & MOs

Info

ID:	55848
PubChem CID:	17396666
Reduced:	O2N4C19H28 (1)
Stoich.:	A2B4C19D28 (1)
Weight, g/mol:	315.092915
ΔH_f, kcal/mol:	-87.63
Dipole, Da:	3.07
IP(EA), eV:	-8.34(0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-3-thiophen-2-ylprop-2-enamide

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)N2CCN(CC2)CC(=O)NC(=O)NC3CCCC3

DOS

IR

Vibrations