Geometry & MOs

Info

ID:	204317
PubChem CID:	79945608
Reduced:	ON2C16H24 (1)
Stoich.:	AB2C16D24 (1)
Weight, g/mol:	306.97002
ΔH_f, kcal/mol:	-28.12
Dipole, Da:	4.73
IP(EA), eV:	-8.62(0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-bromo-4-methyl-N-(3-methylsulfanylpropyl)thiophene-2-carboxamide

Drug info:

PubChemData

Smile

C1CC2CN(CCN2C1)CCC(C3=CC=CC=C3)O

DOS

IR

Vibrations