Geometry & MOs

Info

ID:	190174
PubChem CID:	77963073
Reduced:	O2F3N6H37C39 (1)
Stoich.:	A2B3C6D37E39 (1)
Weight, g/mol:	454.229014
ΔH_f, kcal/mol:	-110.8
Dipole, Da:	4.59
IP(EA), eV:	-8.67(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-aminoethyl 5-[3-[1-(4-hexylphenyl)-5-oxopyrrolidin-2-yl]prop-2-enyl]thiophene-2-carboxylate

Drug info:

PubChemData

Smile

C1CC(N(C1)C(=O)CC2=CC=CC=C2)C3=NC=C(N3)C4=CC=C(C=C4)C5=CC=C(C=C5)C6=CN=C(N6)C7CCCN7C(=O)C8(CC8)C(F)(F)F

DOS

IR

Vibrations