Geometry & MOs

Info

ID:	441148
PubChem CID:	135233308
Reduced:	O3N5C22H31 (1)
Stoich.:	A3B5C22D31 (1)
Weight, g/mol:	216.097272
ΔH_f, kcal/mol:	-14.49
Dipole, Da:	6.77
IP(EA), eV:	-8.42(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-butyl-2-ethenyl-1-benzothiophene

Drug info:

PubChemData

Smile

CC(C)(C)CNC1=C(N=C(C=C1)C2=CC3CN(CC3C2)C(=O)C4(CC4)O)N(C)N=O

DOS

IR

Vibrations