Geometry & MOs

Info

ID:	204197
PubChem CID:	79929730
Reduced:	NO3C15H29 (1)
Stoich.:	AB3C15D29 (1)
Weight, g/mol:	318.96665
ΔH_f, kcal/mol:	-178.55
Dipole, Da:	1.33
IP(EA), eV:	-8.85(2.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-bromo-N-(3-ethynylphenyl)-4-methylthiophene-2-carboxamide

Drug info:

PubChemData

Smile

CC1CN(C(CO1)C)CC2C(C(OC2(C)C)(C)C)O

DOS

IR

Vibrations