Geometry & MOs

Info

ID:	441205
PubChem CID:	135233612
Reduced:	N3H31C41 (1)
Stoich.:	A3B31C41 (1)
Weight, g/mol:	182.076536
ΔH_f, kcal/mol:	170.29
Dipole, Da:	1.74
IP(EA), eV:	-7.99(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-ethenyl-5-(propoxymethyl)thiophene

Drug info:

PubChemData

Smile

C1CC(NC=C1)N2C3=C(C=C(C=C3)C4=CC5=C(C=C4)N(C6=CC=CC=C65)C7=CC=C(C=C7)C8=CC=CC=C8)C9=CC=CC=C92

DOS

IR

Vibrations